propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide

C223H281F2I7N30O26 — CID 159123551

About propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide

propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide (PubChem CID 159123551) has the molecular formula C223H281F2I7N30O26 and a molecular weight of 4724.21 g/mol. Its IUPAC name is propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide.

Molecular Properties

• Compound Name: propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide
• PubChem CID: 159123551
• Molecular Formula: C223H281F2I7N30O26
• Molecular Weight: 4724.21 g/mol
• Exact Mass: 4721.49
• IUPAC Name: propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide
• SMILES: CC(C)OC(=O)C1=CN(C(=O)N2CCC[N+](C)(Cc3ccccc3)CC2)CC(C)(C)c2c1[nH]c1ccccc21.CC(C)OC(=O)C1=CN(C(=O)N2CCC[N+](C)(Cc3ccccc3)CC2)CC(C)(C)c2c1[nH]c1cccnc21.CC(C)OC(=O)C1=CN(C(=O)N2CCC[N+](C)(Cc3ccccc3)CC2)CC(C)(C)c2c1[nH]c1ncccc21.CC(C)OC(=O)C1=CN(C(=O)N2CCC[N+](C)(Cc3ccccc3)CC2)CC(C)(C)c2cn[nH]c21.CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCC[N+]3(C)CCCCC3)cc2)CC(C)(C)c2c1[nH]c1ccccc21.Cc1ccc(C(=O)N2C=C(C(=O)OC(C)C)c3[nH]c4cc(OC(=O)NCC[N+]5(C)CCCC5)ccc4c3C(C)(C)C2)cc1F.Cc1ccc(C(=O)N2C=C(C(=O)OC(C)C)c3[nH]c4cc(OC(=O)NCc5cccc[n+]5C)ccc4c3C(C)(C)C2)cc1F.[I-].[I-].[I-].[I-].[I-].[I-].[I-]
• InChI: InChI=1S/C34H41FN4O5.C34H35FN4O5.C34H44N3O4.C32H41N4O3.2C31H40N5O3.C27H38N5O3.7HI/c1-21(2)43-32(41)26-19-38(31(40)23-10-9-22(3)27(35)17-23)20-34(4,5)29-25-12-11-24(18-28(25)37-30(26)29)44-33(42)36-13-16-39(6)14-7-8-15-39;1-20(2)43-32(41)26-18-39(31(40)22-11-10-21(3)27(35)15-22)19-34(4,5)29-25-13-12-24(16-28(25)37-30(26)29)44-33(42)36-17-23-9-7-8-14-38(23)6;1-24(2)41-33(39)28-22-36(23-34(3,4)30-27-12-7-8-13-29(27)35-31(28)30)32(38)25-14-16-26(17-15-25)40-21-11-20-37(5)18-9-6-10-19-37;1-23(2)39-30(37)26-20-35(22-32(3,4)28-25-14-9-10-15-27(25)33-29(26)28)31(38)34-16-11-18-36(5,19-17-34)21-24-12-7-6-8-13-24;1-22(2)39-29(37)24-19-35(21-31(3,4)26-27(24)33-25-13-9-14-32-28(25)26)30(38)34-15-10-17-36(5,18-16-34)20-23-11-7-6-8-12-23;1-22(2)39-29(37)25-19-35(21-31(3,4)26-24-13-9-14-32-28(24)33-27(25)26)30(38)34-15-10-17-36(5,18-16-34)20-23-11-7-6-8-12-23;1-20(2)35-25(33)22-17-31(19-27(3,4)23-16-28-29-24(22)23)26(34)30-12-9-14-32(5,15-13-30)18-21-10-7-6-8-11-21;;;;;;;/h9-12,17-19,21,37H,7-8,13-16,20H2,1-6H3;7-16,18,20,37H,17,19H2,1-6H3;7-8,12-17,22,24,35H,6,9-11,18-21,23H2,1-5H3;6-10,12-15,20,23,33H,11,16-19,21-22H2,1-5H3;6-9,11-14,19,22,33H,10,15-18,20-21H2,1-5H3;6-9,11-14,19,22H,10,15-18,20-21H2,1-5H3,(H,32,33);6-8,10-11,16-17,20H,9,12-15,18-19H2,1-5H3,(H,28,29);7*1H/q;;5*+1;;;;;;;/p-5
• InChIKey: FITQFDPYBKAAFS-UHFFFAOYSA-I
• XLogP: 15.58
• TPSA: 578.20 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 37
• Heavy Atoms: 288
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4724.21
LogP ≤ 5	15.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide?

The IUPAC name of propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide (CID 159123551) is propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide.

What is the SMILES notation for propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide?

The canonical SMILES for propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide is CC(C)OC(=O)C1=CN(C(=O)N2CCC[N+](C)(Cc3ccccc3)CC2)CC(C)(C)c2c1[nH]c1ccccc21.CC(C)OC(=O)C1=CN(C(=O)N2CCC[N+](C)(Cc3ccccc3)CC2)CC(C)(C)c2c1[nH]c1cccnc21.CC(C)OC(=O)C1=CN(C(=O)N2CCC[N+](C)(Cc3ccccc3)CC2)CC(C)(C)c2c1[nH]c1ncccc21.CC(C)OC(=O)C1=CN(C(=O)N2CCC[N+](C)(Cc3ccccc3)CC2)CC(C)(C)c2cn[nH]c21.CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCC[N+]3(C)CCCCC3)cc2)CC(C)(C)c2c1[nH]c1ccccc21.Cc1ccc(C(=O)N2C=C(C(=O)OC(C)C)c3[nH]c4cc(OC(=O)NCC[N+]5(C)CCCC5)ccc4c3C(C)(C)C2)cc1F.Cc1ccc(C(=O)N2C=C(C(=O)OC(C)C)c3[nH]c4cc(OC(=O)NCc5cccc[n+]5C)ccc4c3C(C)(C)C2)cc1F.[I-].[I-].[I-].[I-].[I-].[I-].[I-].

What is the InChIKey of propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide?

The InChIKey is FITQFDPYBKAAFS-UHFFFAOYSA-I. The full InChI is InChI=1S/C34H41FN4O5.C34H35FN4O5.C34H44N3O4.C32H41N4O3.2C31H40N5O3.C27H38N5O3.7HI/c1-21(2)43-32(41)26-19-38(31(40)23-10-9-22(3)27(35)17-23)20-34(4,5)29-25-12-11-24(18-28(25)37-30(26)29)44-33(42)36-13-16-39(6)14-7-8-15-39;1-20(2)43-32(41)26-18-39(31(40)22-11-10-21(3)27(35)15-22)19-34(4,5)29-25-13-12-24(16-28(25)37-30(26)29)44-33(42)36-17-23-9-7-8-14-38(23)6;1-24(2)41-33(39)28-22-36(23-34(3,4)30-27-12-7-8-13-29(27)35-31(28)30)32(38)25-14-16-26(17-15-25)40-21-11-20-37(5)18-9-6-10-19-37;1-23(2)39-30(37)26-20-35(22-32(3,4)28-25-14-9-10-15-27(25)33-29(26)28)31(38)34-16-11-18-36(5,19-17-34)21-24-12-7-6-8-13-24;1-22(2)39-29(37)24-19-35(21-31(3,4)26-27(24)33-25-13-9-14-32-28(25)26)30(38)34-15-10-17-36(5,18-16-34)20-23-11-7-6-8-12-23;1-22(2)39-29(37)25-19-35(21-31(3,4)26-24-13-9-14-32-28(24)33-27(25)26)30(38)34-15-10-17-36(5,18-16-34)20-23-11-7-6-8-12-23;1-20(2)35-25(33)22-17-31(19-27(3,4)23-16-28-29-24(22)23)26(34)30-12-9-14-32(5,15-13-30)18-21-10-7-6-8-11-21;;;;;;;/h9-12,17-19,21,37H,7-8,13-16,20H2,1-6H3;7-16,18,20,37H,17,19H2,1-6H3;7-8,12-17,22,24,35H,6,9-11,18-21,23H2,1-5H3;6-10,12-15,20,23,33H,11,16-19,21-22H2,1-5H3;6-9,11-14,19,22,33H,10,15-18,20-21H2,1-5H3;6-9,11-14,19,22H,10,15-18,20-21H2,1-5H3,(H,32,33);6-8,10-11,16-17,20H,9,12-15,18-19H2,1-5H3,(H,28,29);7*1H/q;;5*+1;;;;;;;/p-5.

What are the key properties of propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide?

propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide has a molecular weight of 4724.21 g/mol, XLogP of 15.58, 37 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 3-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 6-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-4,4-dimethyl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-3,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-benzyl-4-methyl-1,4-diazepan-4-ium-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 1,1-dimethyl-3-[4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[(1-methylpyridin-1-ium-2-yl)methylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3-fluoro-4-methylbenzoyl)-1,1-dimethyl-8-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylcarbamoyloxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;heptaiodide is sourced from PubChem (CID 159123551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).