[4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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)

C149H159N14O18+7 — CID 159339826

About [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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 159339826) has the molecular formula C149H159N14O18+7 and a molecular weight of 2433.99 g/mol. Its IUPAC name is [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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: 159339826
• Molecular Formula: C149H159N14O18+7
• Molecular Weight: 2433.99 g/mol
• Exact Mass: 2432.19
• IUPAC Name: [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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: CC(=O)c1ccc2[nH]c(COC(=O)c3cc[n+](C)cc3)cc2c1.CC(=O)c1ccc2[nH]c(COC(=O)c3ccc([N+](C)(C)C)cc3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)c3cc[n+](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+]1cccc(C(=O)OCc2cc3cc(Oc4ccccc4)ccc3[nH]2)c1
• InChI: InChI=1S/C25H25N2O3.C22H19N2O3.2C22H27N2O2.C21H22N2O3.C19H20N2O2.C18H16N2O3/c1-27(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;1-24-11-5-6-16(14-24)22(25)26-15-18-12-17-13-20(9-10-21(17)23-18)27-19-7-3-2-4-8-19;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;1-13(2)15-4-5-18-16(10-15)11-17(20-18)12-23-19(22)14-6-8-21(3)9-7-14;1-12(21)14-3-4-17-15(9-14)10-16(19-17)11-23-18(22)13-5-7-20(2)8-6-13/h4-16,26H,17H2,1-3H3;2-14,23H,15H2,1H3;2*6-13,15,23H,14H2,1-5H3;5-12H,13H2,1-4H3;4-11,13H,12H2,1-3H3;3-10H,11H2,1-2H3/q4*+1;;;/p+3
• InChIKey: VPSKAPMBKFDEGA-UHFFFAOYSA-Q
• XLogP: 29.29
• TPSA: 358.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2433.99
LogP ≤ 5	29.29
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_1', '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;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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 159339826) is [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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 CC(=O)c1ccc2[nH]c(COC(=O)c3cc[n+](C)cc3)cc2c1.CC(=O)c1ccc2[nH]c(COC(=O)c3ccc([N+](C)(C)C)cc3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)c3cc[n+](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+]1cccc(C(=O)OCc2cc3cc(Oc4ccccc4)ccc3[nH]2)c1.

What is the InChIKey of [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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 VPSKAPMBKFDEGA-UHFFFAOYSA-Q. The full InChI is InChI=1S/C25H25N2O3.C22H19N2O3.2C22H27N2O2.C21H22N2O3.C19H20N2O2.C18H16N2O3/c1-27(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;1-24-11-5-6-16(14-24)22(25)26-15-18-12-17-13-20(9-10-21(17)23-18)27-19-7-3-2-4-8-19;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;1-13(2)15-4-5-18-16(10-15)11-17(20-18)12-23-19(22)14-6-8-21(3)9-7-14;1-12(21)14-3-4-17-15(9-14)10-16(19-17)11-23-18(22)13-5-7-20(2)8-6-13/h4-16,26H,17H2,1-3H3;2-14,23H,15H2,1H3;2*6-13,15,23H,14H2,1-5H3;5-12H,13H2,1-4H3;4-11,13H,12H2,1-3H3;3-10H,11H2,1-2H3/q4*+1;;;/p+3.

What are the key properties of [4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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 2433.99 g/mol, XLogP of 29.29, 34 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;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;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 159339826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).