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

Systemtic Name: methyl sulfate; trimethyl-[[5-[[2-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]methyl]-1H-indol-2-yl]methyl]azanium Openeye Name: methyl sulfate; trimethyl-[[5-[[2-[(trimethylammonio)methyl]-1H-indol-5-yl]methyl]-1H-indol-2-yl]methyl]ammonium CAS Name: methyl sulfate; trimethyl-[[5-[[2-[(trimethylammonio)methyl]-1H-indol-5-yl]methyl]-1H-indol-2-yl]methyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[[5-[[2-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]methyl]-1H-indol-2-yl]methyl]azanium Traditional Name: methyl sulfate; trimethyl-[[5-[[2-[(trimethylammonio)methyl]-1H-indol-5-yl]methyl]-1H-indol-2-yl]methyl]ammonium Formula: C27H40N4O8S2 MolecularWeight: 612.7585

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)NC(=C4)C[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CC1=CC2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)NC(=C4)C[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C25H34N4.2CH4O4S/c1-28(2,3)16-22-14-20-12-18(7-9-24(20)26-22)11-19-8-10-25-21(13-19)15-23(27-25)17-29(4,5)6;2*1-5-6(2,3)4/h7-10,12-15,26-27H,11,16-17H2,1-6H3;2*1H3,(H,2,3,4)/q+2;;/p-2