dimethoxy-[2-(3-methylphenyl)ethyl]-[3-(phenylsulfonyl)-2-propan-2-yl-4-propoxy-indolizin-4-ium-1-yl]azanium

Systemtic Name: dimethoxy-[2-(3-methylphenyl)ethyl]-[3-(phenylsulfonyl)-2-propan-2-yl-4-propoxy-indolizin-4-ium-1-yl]azanium Openeye Name: [3-(benzenesulfonyl)-2-isopropyl-4-propoxy-indolizin-4-ium-1-yl]-dimethoxy-[2-(m-tolyl)ethyl]ammonium CAS Name: [3-(benzenesulfonyl)-2-propan-2-yl-4-propoxy-1-indolizin-4-iumyl]-dimethoxy-[2-(3-methylphenyl)ethyl]ammonium IUPAC Name: [3-(benzenesulfonyl)-2-propan-2-yl-4-propoxyindolizin-4-ium-1-yl]-dimethoxy-[2-(3-methylphenyl)ethyl]azanium Traditional Name: (3-besyl-2-isopropyl-4-propoxy-indolizin-4-ium-1-yl)-dimethoxy-[2-(m-tolyl)ethyl]ammonium Formula: C31H40N2O5S+2 MolecularWeight: 552.7247

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Descriptors Computed from Structure

Canonical SMILES:

CCCO[N+]12C=CC=CC1=C(C(=C2S(=O)(=O)C3=CC=CC=C3)C(C)C)[N+](CCC4=CC=CC(=C4)C)(OC)OC

Isomeric SMILES

CCCO[N+]12C=CC=CC1=C(C(=C2S(=O)(=O)C3=CC=CC=C3)C(C)C)[N+](CCC4=CC=CC(=C4)C)(OC)OC

InChI

InChI=1S/C31H40N2O5S/c1-7-22-38-32-20-12-11-18-28(32)30(33(36-5,37-6)21-19-26-15-13-14-25(4)23-26)29(24(2)3)31(32)39(34,35)27-16-9-8-10-17-27/h8-18,20,23-24H,7,19,21-22H2,1-6H3/q+2