[4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)

C168H203N14O18+7 — CID 158426223

About [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)

[4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium) (PubChem CID 158426223) has the molecular formula C168H203N14O18+7 and a molecular weight of 2706.55 g/mol. Its IUPAC name is [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium).

Molecular Properties

• Compound Name: [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)
• PubChem CID: 158426223
• Molecular Formula: C168H203N14O18+7
• Molecular Weight: 2706.55 g/mol
• Exact Mass: 2704.54
• IUPAC Name: [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)
• SMILES: C.C.C.C.C.C.C.CC(=O)c1ccc2[nH]c(COC(=O)c3ccc([N+](C)(C)C)cc3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)c3ccc([N+](C)(C)C)cc3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)c3ccc([N+](C)(C)C)cc3)cc2c1.C[N+](C)(C)c1ccc(C(=O)OCc2cc3cc(Oc4ccccc4)ccc3[nH]2)cc1.C[N+](C)(C)c1ccc(C(=O)OCc2cc3cc(Oc4ccccc4)ccc3[nH]2)cc1.C[N+](C)(C)c1cccc(C(=O)OCc2cc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1.Cc1ccc2cc(COC(=O)c3ccc([N+](C)(C)C)cc3)[nH]c2c1
• InChI: InChI=1S/C26H24N2O3.2C25H25N2O3.2C22H27N2O2.C21H22N2O3.C20H23N2O2.7CH4/c1-28(2,3)23-11-7-10-20(16-23)26(30)31-17-22-15-21-14-19(12-13-24(21)27-22)25(29)18-8-5-4-6-9-18;2*1-27(2,3)21-11-9-18(10-12-21)25(28)29-17-20-15-19-16-23(13-14-24(19)26-20)30-22-7-5-4-6-8-22;2*1-15(2)17-8-11-21-18(12-17)13-19(23-21)14-26-22(25)16-6-9-20(10-7-16)24(3,4)5;1-14(24)16-7-10-20-17(11-16)12-18(22-20)13-26-21(25)15-5-8-19(9-6-15)23(2,3)4;1-14-5-6-16-12-17(21-19(16)11-14)13-24-20(23)15-7-9-18(10-8-15)22(2,3)4;;;;;;;/h4-16H,17H2,1-3H3;2*4-16,26H,17H2,1-3H3;2*6-13,15,23H,14H2,1-5H3;5-12H,13H2,1-4H3;5-12,21H,13H2,1-4H3;7*1H4/q;4*+1;;+1;;;;;;;/p+2
• InChIKey: SNJUHZFRIDYJHQ-UHFFFAOYSA-P
• XLogP: 38.08
• TPSA: 347.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 37
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2706.55
LogP ≤ 5	38.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)?

The IUPAC name of [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium) (CID 158426223) is [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium).

What is the SMILES notation for [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)?

The canonical SMILES for [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium) is C.C.C.C.C.C.C.CC(=O)c1ccc2[nH]c(COC(=O)c3ccc([N+](C)(C)C)cc3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)c3ccc([N+](C)(C)C)cc3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)c3ccc([N+](C)(C)C)cc3)cc2c1.C[N+](C)(C)c1ccc(C(=O)OCc2cc3cc(Oc4ccccc4)ccc3[nH]2)cc1.C[N+](C)(C)c1ccc(C(=O)OCc2cc3cc(Oc4ccccc4)ccc3[nH]2)cc1.C[N+](C)(C)c1cccc(C(=O)OCc2cc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1.Cc1ccc2cc(COC(=O)c3ccc([N+](C)(C)C)cc3)[nH]c2c1.

What is the InChIKey of [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)?

The InChIKey is SNJUHZFRIDYJHQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H24N2O3.2C25H25N2O3.2C22H27N2O2.C21H22N2O3.C20H23N2O2.7CH4/c1-28(2,3)23-11-7-10-20(16-23)26(30)31-17-22-15-21-14-19(12-13-24(21)27-22)25(29)18-8-5-4-6-9-18;2*1-27(2,3)21-11-9-18(10-12-21)25(28)29-17-20-15-19-16-23(13-14-24(19)26-20)30-22-7-5-4-6-8-22;2*1-15(2)17-8-11-21-18(12-17)13-19(23-21)14-26-22(25)16-6-9-20(10-7-16)24(3,4)5;1-14(24)16-7-10-20-17(11-16)12-18(22-20)13-26-21(25)15-5-8-19(9-6-15)23(2,3)4;1-14-5-6-16-12-17(21-19(16)11-14)13-24-20(23)15-7-9-18(10-8-15)22(2,3)4;;;;;;;/h4-16H,17H2,1-3H3;2*4-16,26H,17H2,1-3H3;2*6-13,15,23H,14H2,1-5H3;5-12H,13H2,1-4H3;5-12,21H,13H2,1-4H3;7*1H4/q;4*+1;;+1;;;;;;;/p+2.

What are the key properties of [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium)?

[4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium) has a molecular weight of 2706.55 g/mol, XLogP of 38.08, 37 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;[3-[(5-benzoyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;methane;trimethyl-[4-[(6-methyl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium;bis(trimethyl-[4-[(5-phenoxy-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium);bis(trimethyl-[4-[(5-propan-2-yl-1H-indol-2-yl)methoxycarbonyl]phenyl]azanium) is sourced from PubChem (CID 158426223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).