[2-ethoxycarbonyl-5-[2-ethoxycarbonyl-3-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]-1H-indol-3-yl]methyl-trimethyl-azanium; methyl sulfate

Systemtic Name: [2-ethoxycarbonyl-5-[2-ethoxycarbonyl-3-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]-1H-indol-3-yl]methyl-trimethyl-azanium; methyl sulfate Openeye Name: [2-ethoxycarbonyl-5-[2-ethoxycarbonyl-3-[(trimethylammonio)methyl]-1H-indol-5-yl]-1H-indol-3-yl]methyl-trimethyl-ammonium; methyl sulfate CAS Name: [2-ethoxycarbonyl-5-[2-ethoxycarbonyl-3-[(trimethylammonio)methyl]-1H-indol-5-yl]-1H-indol-3-yl]methyl-trimethylammonium; methyl sulfate IUPAC Name: [2-ethoxycarbonyl-5-[2-ethoxycarbonyl-3-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]-1H-indol-3-yl]methyl-trimethylazanium; methyl sulfate Traditional Name: [2-carbethoxy-5-[2-carbethoxy-3-[(trimethylammonio)methyl]-1H-indol-5-yl]-1H-indol-3-yl]methyl-trimethyl-ammonium; methyl sulfate Formula: C32H46N4O12S2 MolecularWeight: 742.85724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C3=CC4=C(C=C3)NC(=C4C[N+](C)(C)C)C(=O)OCC)C[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C3=CC4=C(C=C3)NC(=C4C[N+](C)(C)C)C(=O)OCC)C[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C30H38N4O4.2CH4O4S/c1-9-37-29(35)27-23(17-33(3,4)5)21-15-19(11-13-25(21)31-27)20-12-14-26-22(16-20)24(18-34(6,7)8)28(32-26)30(36)38-10-2;2*1-5-6(2,3)4/h11-16H,9-10,17-18H2,1-8H3;2*1H3,(H,2,3,4)