N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]prop-2-ene-1-sulfonamide

Systemtic Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]prop-2-ene-1-sulfonamide Openeye Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]prop-2-ene-1-sulfonamide CAS Name: N-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-2-propene-1-sulfonamide IUPAC Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]prop-2-ene-1-sulfonamide Traditional Name: N-[[2-[4-(2-methoxyphenyl)piperazino]pyridin-1-ium-3-yl]methyl]prop-2-ene-1-sulfonamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNS(=O)(=O)CC=C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNS(=O)(=O)CC=C

InChI

InChI=1S/C20H26N4O3S/c1-3-15-28(25,26)22-16-17-7-6-10-21-20(17)24-13-11-23(12-14-24)18-8-4-5-9-19(18)27-2/h3-10,22H,1,11-16H2,2H3/p+1