ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide

C144H178Br3F6IN16O27 — CID 162146019

IUPACethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide
SMILESCCNC(=O)C1CCC[N+](CC(=O)Nc2c(C)cccc2C(=O)OC)(Cc2ccccc2)C1.CCOC(=O)C1CCC[N+](CC)(CC(=O)Nc2c(C)cccc2C(=O)OC)C1.CNC(=O)C[N+]1(CC(=O)Nc2c(C)cccc2C(=O)OC)CCCC(c2ccccc2)C1.COC(=O)c1cccc(C)c1NC(=O)C[N+]1(CC(=O)N(C)C)CCCC(c2ccccc2)C1.COC(=O)c1cccc(C)c1NC(=O)C[n+]1cccc(-c2ccccc2)c1.COC(=O)c1cccc(C)c1NC(=O)C[n+]1cccn1C1CCCCC1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Br-].[Br-].[Br-].[I-]
InChIInChI=1S/2C26H33N3O4.C25H31N3O4.C22H20N2O3.C21H30N2O5.C20H25N3O3.2C2HF3O2.3BrH.HI/c1-19-10-8-14-22(26(32)33-4)25(19)27-23(30)17-29(18-24(31)28(2)3)15-9-13-21(16-29)20-11-6-5-7-12-20;1-4-27-25(31)21-13-9-15-29(17-21,16-20-11-6-5-7-12-20)18-23(30)28-24-19(2)10-8-14-22(24)26(32)33-3;1-18-9-7-13-21(25(31)32-3)24(18)27-23(30)17-28(16-22(29)26-2)14-8-12-20(15-28)19-10-5-4-6-11-19;1-16-8-6-12-19(22(26)27-2)21(16)23-20(25)15-24-13-7-11-18(14-24)17-9-4-3-5-10-17;1-5-23(12-8-10-16(13-23)20(25)28-6-2)14-18(24)22-19-15(3)9-7-11-17(19)21(26)27-4;1-15-8-6-11-17(20(25)26-2)19(15)21-18(24)14-22-12-7-13-23(22)16-9-4-3-5-10-16;2*3-2(4,5)1(6)7;;;;/h5-8,10-12,14,21H,9,13,15-18H2,1-4H3;5-8,10-12,14,21H,4,9,13,15-18H2,1-3H3,(H-,27,28,30,31,32);4-7,9-11,13,20H,8,12,14-17H2,1-3H3,(H-,26,27,29,30,31);3-14H,15H2,1-2H3;7,9,11,16H,5-6,8,10,12-14H2,1-4H3;6-8,11-13,16H,3-5,9-10,14H2,1-2H3;2*(H,6,7);4*1H
InChIKeyOGJRCRMWUXNAME-UHFFFAOYSA-N
MW3045.70 g/mol
LogP4.88
Rot. Bonds39

About ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide

ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide (PubChem CID 162146019) has the molecular formula C144H178Br3F6IN16O27 and a molecular weight of 3045.70 g/mol. Its IUPAC name is ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide.

Molecular Properties

Compound Nameethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide
PubChem CID162146019
Molecular FormulaC144H178Br3F6IN16O27
Molecular Weight3045.70 g/mol
Exact Mass3040.95
IUPAC Nameethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide
SMILESCCNC(=O)C1CCC[N+](CC(=O)Nc2c(C)cccc2C(=O)OC)(Cc2ccccc2)C1.CCOC(=O)C1CCC[N+](CC)(CC(=O)Nc2c(C)cccc2C(=O)OC)C1.CNC(=O)C[N+]1(CC(=O)Nc2c(C)cccc2C(=O)OC)CCCC(c2ccccc2)C1.COC(=O)c1cccc(C)c1NC(=O)C[N+]1(CC(=O)N(C)C)CCCC(c2ccccc2)C1.COC(=O)c1cccc(C)c1NC(=O)C[n+]1cccc(-c2ccccc2)c1.COC(=O)c1cccc(C)c1NC(=O)C[n+]1cccn1C1CCCCC1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Br-].[Br-].[Br-].[I-]
InChIInChI=1S/2C26H33N3O4.C25H31N3O4.C22H20N2O3.C21H30N2O5.C20H25N3O3.2C2HF3O2.3BrH.HI/c1-19-10-8-14-22(26(32)33-4)25(19)27-23(30)17-29(18-24(31)28(2)3)15-9-13-21(16-29)20-11-6-5-7-12-20;1-4-27-25(31)21-13-9-15-29(17-21,16-20-11-6-5-7-12-20)18-23(30)28-24-19(2)10-8-14-22(24)26(32)33-3;1-18-9-7-13-21(25(31)32-3)24(18)27-23(30)17-28(16-22(29)26-2)14-8-12-20(15-28)19-10-5-4-6-11-19;1-16-8-6-12-19(22(26)27-2)21(16)23-20(25)15-24-13-7-11-18(14-24)17-9-4-3-5-10-17;1-5-23(12-8-10-16(13-23)20(25)28-6-2)14-18(24)22-19-15(3)9-7-11-17(19)21(26)27-4;1-15-8-6-11-17(20(25)26-2)19(15)21-18(24)14-22-12-7-13-23(22)16-9-4-3-5-10-16;2*3-2(4,5)1(6)7;;;;/h5-8,10-12,14,21H,9,13,15-18H2,1-4H3;5-8,10-12,14,21H,4,9,13,15-18H2,1-3H3,(H-,27,28,30,31,32);4-7,9-11,13,20H,8,12,14-17H2,1-3H3,(H-,26,27,29,30,31);3-14H,15H2,1-2H3;7,9,11,16H,5-6,8,10,12-14H2,1-4H3;6-8,11-13,16H,3-5,9-10,14H2,1-2H3;2*(H,6,7);4*1H
InChIKeyOGJRCRMWUXNAME-UHFFFAOYSA-N
XLogP4.88
TPSA530.16 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds39
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003045.70
LogP ≤ 54.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide?
The IUPAC name of ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide (CID 162146019) is ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide.
What is the SMILES notation for ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide?
The canonical SMILES for ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide is CCNC(=O)C1CCC[N+](CC(=O)Nc2c(C)cccc2C(=O)OC)(Cc2ccccc2)C1.CCOC(=O)C1CCC[N+](CC)(CC(=O)Nc2c(C)cccc2C(=O)OC)C1.CNC(=O)C[N+]1(CC(=O)Nc2c(C)cccc2C(=O)OC)CCCC(c2ccccc2)C1.COC(=O)c1cccc(C)c1NC(=O)C[N+]1(CC(=O)N(C)C)CCCC(c2ccccc2)C1.COC(=O)c1cccc(C)c1NC(=O)C[n+]1cccc(-c2ccccc2)c1.COC(=O)c1cccc(C)c1NC(=O)C[n+]1cccn1C1CCCCC1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Br-].[Br-].[Br-].[I-].
What is the InChIKey of ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide?
The InChIKey is OGJRCRMWUXNAME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H33N3O4.C25H31N3O4.C22H20N2O3.C21H30N2O5.C20H25N3O3.2C2HF3O2.3BrH.HI/c1-19-10-8-14-22(26(32)33-4)25(19)27-23(30)17-29(18-24(31)28(2)3)15-9-13-21(16-29)20-11-6-5-7-12-20;1-4-27-25(31)21-13-9-15-29(17-21,16-20-11-6-5-7-12-20)18-23(30)28-24-19(2)10-8-14-22(24)26(32)33-3;1-18-9-7-13-21(25(31)32-3)24(18)27-23(30)17-28(16-22(29)26-2)14-8-12-20(15-28)19-10-5-4-6-11-19;1-16-8-6-12-19(22(26)27-2)21(16)23-20(25)15-24-13-7-11-18(14-24)17-9-4-3-5-10-17;1-5-23(12-8-10-16(13-23)20(25)28-6-2)14-18(24)22-19-15(3)9-7-11-17(19)21(26)27-4;1-15-8-6-11-17(20(25)26-2)19(15)21-18(24)14-22-12-7-13-23(22)16-9-4-3-5-10-16;2*3-2(4,5)1(6)7;;;;/h5-8,10-12,14,21H,9,13,15-18H2,1-4H3;5-8,10-12,14,21H,4,9,13,15-18H2,1-3H3,(H-,27,28,30,31,32);4-7,9-11,13,20H,8,12,14-17H2,1-3H3,(H-,26,27,29,30,31);3-14H,15H2,1-2H3;7,9,11,16H,5-6,8,10,12-14H2,1-4H3;6-8,11-13,16H,3-5,9-10,14H2,1-2H3;2*(H,6,7);4*1H.
What are the key properties of ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide?
ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide has a molecular weight of 3045.70 g/mol, XLogP of 4.88, 39 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-1-[2-(2-methoxycarbonyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate;methyl 2-[[2-[1-benzyl-3-(ethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 2-[[2-(1-cyclohexylpyrazol-2-ium-2-yl)acetyl]amino]-3-methylbenzoate;methyl 2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate;methyl 3-methyl-2-[[2-[1-[2-(methylamino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]benzoate;methyl 3-methyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate;bis(2,2,2-trifluoroacetate);tribromide;iodide is sourced from PubChem (CID 162146019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).