4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium

C227H332Cl9N56O23+9 — CID 158471381

IUPAC4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium
SMILESCOc1ccc(CC(=O)NCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.COc1ccc(CCC(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.COc1ccc(CCCC(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.C[N+](C)(CCCCCCC(=O)CCc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N.C[N+](C)(CCCCCCC(=O)Cc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N.C[N+](C)(CCCCNC(=O)c1ccccc1)CCNC(=O)c1nc(Cl)c(N)nc1N.Cc1ccc(C(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(CCC(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(CCC(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1
InChIInChI=1S/C31H41ClN6O3.C30H39ClN6O3.C26H39ClN6O3.C25H37ClN6O3.2C25H37ClN6O2.C23H33ClN6O2.C22H32ClN7O3.C20H28ClN7O2/c1-38(2,21-19-35-31(40)27-29(33)37-30(34)28(32)36-27)20-9-4-3-8-12-25(39)16-13-23-14-17-26(18-15-23)41-22-24-10-6-5-7-11-24;1-37(2,19-17-34-30(39)26-28(32)36-29(33)27(31)35-26)18-9-4-3-8-12-24(38)20-22-13-15-25(16-14-22)40-21-23-10-6-5-7-11-23;1-33(2,18-16-30-26(35)22-24(28)32-25(29)23(27)31-22)17-7-5-4-6-10-20(34)11-8-9-19-12-14-21(36-3)15-13-19;1-32(2,17-15-29-25(34)21-23(27)31-24(28)22(26)30-21)16-7-5-4-6-8-19(33)12-9-18-10-13-20(35-3)14-11-18;2*1-18-9-11-19(12-10-18)13-14-20(33)8-6-4-5-7-16-32(2,3)17-15-29-25(34)21-23(27)31-24(28)22(26)30-21;1-16-9-11-17(12-10-16)18(31)8-6-4-5-7-14-30(2,3)15-13-27-23(32)19-21(25)29-22(26)20(24)28-19;1-30(2,13-11-27-22(32)18-20(24)29-21(25)19(23)28-18)12-5-4-10-26-17(31)14-15-6-8-16(33-3)9-7-15;1-28(2,12-7-6-10-24-19(29)14-8-4-3-5-9-14)13-11-25-20(30)15-17(22)27-18(23)16(21)26-15/h5-7,10-11,14-15,17-18H,3-4,8-9,12-13,16,19-22H2,1-2H3,(H4-,33,34,35,37,40);5-7,10-11,13-16H,3-4,8-9,12,17-21H2,1-2H3,(H4-,32,33,34,36,39);12-15H,4-11,16-18H2,1-3H3,(H4-,28,29,30,32,35);10-11,13-14H,4-9,12,15-17H2,1-3H3,(H4-,27,28,29,31,34);2*9-12H,4-8,13-17H2,1-3H3,(H4-,27,28,29,31,34);9-12H,4-8,13-15H2,1-3H3,(H4-,25,26,27,29,32);6-9H,4-5,10-14H2,1-3H3,(H5-,24,25,26,27,29,31,32);3-5,8-9H,6-7,10-13H2,1-2H3,(H5-,22,23,24,25,27,29,30)/p+9
InChIKeyHGJSNFWFSLJVIU-UHFFFAOYSA-W
MW4532.60 g/mol
LogP29.11
Rot. Bonds126

About 4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium

4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium (PubChem CID 158471381) has the molecular formula C227H332Cl9N56O23+9 and a molecular weight of 4532.60 g/mol. Its IUPAC name is 4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium.

Molecular Properties

Compound Name4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium
PubChem CID158471381
Molecular FormulaC227H332Cl9N56O23+9
Molecular Weight4532.60 g/mol
Exact Mass4525.37
IUPAC Name4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium
SMILESCOc1ccc(CC(=O)NCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.COc1ccc(CCC(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.COc1ccc(CCCC(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.C[N+](C)(CCCCCCC(=O)CCc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N.C[N+](C)(CCCCCCC(=O)Cc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N.C[N+](C)(CCCCNC(=O)c1ccccc1)CCNC(=O)c1nc(Cl)c(N)nc1N.Cc1ccc(C(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(CCC(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(CCC(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1
InChIInChI=1S/C31H41ClN6O3.C30H39ClN6O3.C26H39ClN6O3.C25H37ClN6O3.2C25H37ClN6O2.C23H33ClN6O2.C22H32ClN7O3.C20H28ClN7O2/c1-38(2,21-19-35-31(40)27-29(33)37-30(34)28(32)36-27)20-9-4-3-8-12-25(39)16-13-23-14-17-26(18-15-23)41-22-24-10-6-5-7-11-24;1-37(2,19-17-34-30(39)26-28(32)36-29(33)27(31)35-26)18-9-4-3-8-12-24(38)20-22-13-15-25(16-14-22)40-21-23-10-6-5-7-11-23;1-33(2,18-16-30-26(35)22-24(28)32-25(29)23(27)31-22)17-7-5-4-6-10-20(34)11-8-9-19-12-14-21(36-3)15-13-19;1-32(2,17-15-29-25(34)21-23(27)31-24(28)22(26)30-21)16-7-5-4-6-8-19(33)12-9-18-10-13-20(35-3)14-11-18;2*1-18-9-11-19(12-10-18)13-14-20(33)8-6-4-5-7-16-32(2,3)17-15-29-25(34)21-23(27)31-24(28)22(26)30-21;1-16-9-11-17(12-10-16)18(31)8-6-4-5-7-14-30(2,3)15-13-27-23(32)19-21(25)29-22(26)20(24)28-19;1-30(2,13-11-27-22(32)18-20(24)29-21(25)19(23)28-18)12-5-4-10-26-17(31)14-15-6-8-16(33-3)9-7-15;1-28(2,12-7-6-10-24-19(29)14-8-4-3-5-9-14)13-11-25-20(30)15-17(22)27-18(23)16(21)26-15/h5-7,10-11,14-15,17-18H,3-4,8-9,12-13,16,19-22H2,1-2H3,(H4-,33,34,35,37,40);5-7,10-11,13-16H,3-4,8-9,12,17-21H2,1-2H3,(H4-,32,33,34,36,39);12-15H,4-11,16-18H2,1-3H3,(H4-,28,29,30,32,35);10-11,13-14H,4-9,12,15-17H2,1-3H3,(H4-,27,28,29,31,34);2*9-12H,4-8,13-17H2,1-3H3,(H4-,27,28,29,31,34);9-12H,4-8,13-15H2,1-3H3,(H4-,25,26,27,29,32);6-9H,4-5,10-14H2,1-3H3,(H5-,24,25,26,27,29,31,32);3-5,8-9H,6-7,10-13H2,1-2H3,(H5-,22,23,24,25,27,29,30)/p+9
InChIKeyHGJSNFWFSLJVIU-UHFFFAOYSA-W
XLogP29.11
TPSA1186.12 Ų
H-Bond Donors29
H-Bond Acceptors59
Rotatable Bonds126
Heavy Atoms315
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004532.60
LogP ≤ 529.11
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1059

Analyze 4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium?
The IUPAC name of 4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium (CID 158471381) is 4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium.
What is the SMILES notation for 4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium?
The canonical SMILES for 4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium is COc1ccc(CC(=O)NCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.COc1ccc(CCC(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.COc1ccc(CCCC(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.C[N+](C)(CCCCCCC(=O)CCc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N.C[N+](C)(CCCCCCC(=O)Cc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N.C[N+](C)(CCCCNC(=O)c1ccccc1)CCNC(=O)c1nc(Cl)c(N)nc1N.Cc1ccc(C(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(CCC(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(CCC(=O)CCCCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.
What is the InChIKey of 4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium?
The InChIKey is HGJSNFWFSLJVIU-UHFFFAOYSA-W. The full InChI is InChI=1S/C31H41ClN6O3.C30H39ClN6O3.C26H39ClN6O3.C25H37ClN6O3.2C25H37ClN6O2.C23H33ClN6O2.C22H32ClN7O3.C20H28ClN7O2/c1-38(2,21-19-35-31(40)27-29(33)37-30(34)28(32)36-27)20-9-4-3-8-12-25(39)16-13-23-14-17-26(18-15-23)41-22-24-10-6-5-7-11-24;1-37(2,19-17-34-30(39)26-28(32)36-29(33)27(31)35-26)18-9-4-3-8-12-24(38)20-22-13-15-25(16-14-22)40-21-23-10-6-5-7-11-23;1-33(2,18-16-30-26(35)22-24(28)32-25(29)23(27)31-22)17-7-5-4-6-10-20(34)11-8-9-19-12-14-21(36-3)15-13-19;1-32(2,17-15-29-25(34)21-23(27)31-24(28)22(26)30-21)16-7-5-4-6-8-19(33)12-9-18-10-13-20(35-3)14-11-18;2*1-18-9-11-19(12-10-18)13-14-20(33)8-6-4-5-7-16-32(2,3)17-15-29-25(34)21-23(27)31-24(28)22(26)30-21;1-16-9-11-17(12-10-16)18(31)8-6-4-5-7-14-30(2,3)15-13-27-23(32)19-21(25)29-22(26)20(24)28-19;1-30(2,13-11-27-22(32)18-20(24)29-21(25)19(23)28-18)12-5-4-10-26-17(31)14-15-6-8-16(33-3)9-7-15;1-28(2,12-7-6-10-24-19(29)14-8-4-3-5-9-14)13-11-25-20(30)15-17(22)27-18(23)16(21)26-15/h5-7,10-11,14-15,17-18H,3-4,8-9,12-13,16,19-22H2,1-2H3,(H4-,33,34,35,37,40);5-7,10-11,13-16H,3-4,8-9,12,17-21H2,1-2H3,(H4-,32,33,34,36,39);12-15H,4-11,16-18H2,1-3H3,(H4-,28,29,30,32,35);10-11,13-14H,4-9,12,15-17H2,1-3H3,(H4-,27,28,29,31,34);2*9-12H,4-8,13-17H2,1-3H3,(H4-,27,28,29,31,34);9-12H,4-8,13-15H2,1-3H3,(H4-,25,26,27,29,32);6-9H,4-5,10-14H2,1-3H3,(H5-,24,25,26,27,29,31,32);3-5,8-9H,6-7,10-13H2,1-2H3,(H5-,22,23,24,25,27,29,30)/p+9.
What are the key properties of 4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium?
4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium has a molecular weight of 4532.60 g/mol, XLogP of 29.11, 126 rotatable bonds, 29 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-(4-methylphenyl)-7-oxoheptyl]azanium;bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[9-(4-methylphenyl)-7-oxononyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-9-(4-phenylmethoxyphenyl)nonyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[7-oxo-8-(4-phenylmethoxyphenyl)octyl]azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]butyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[10-(4-methoxyphenyl)-7-oxodecyl]-dimethylazanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[9-(4-methoxyphenyl)-7-oxononyl]-dimethylazanium is sourced from PubChem (CID 158471381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).