[3-(1-methylpyridin-1-ium-4-yl)-1-propyl-indol-5-yl] benzenesulfonate

Systemtic Name: [3-(1-methylpyridin-1-ium-4-yl)-1-propyl-indol-5-yl] benzenesulfonate Openeye Name: [3-(1-methylpyridin-1-ium-4-yl)-1-propyl-indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(1-methyl-4-pyridin-1-iumyl)-1-propyl-5-indolyl] ester IUPAC Name: [3-(1-methylpyridin-1-ium-4-yl)-1-propylindol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(1-methylpyridin-1-ium-4-yl)-1-propyl-indol-5-yl] ester Formula: C23H23N2O3S+ MolecularWeight: 407.50532

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CC=C3)C4=CC=[N+](C=C4)C

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CC=C3)C4=CC=[N+](C=C4)C

InChI

InChI=1S/C23H23N2O3S/c1-3-13-25-17-22(18-11-14-24(2)15-12-18)21-16-19(9-10-23(21)25)28-29(26,27)20-7-5-4-6-8-20/h4-12,14-17H,3,13H2,1-2H3/q+1