N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide

Systemtic Name: N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide Openeye Name: N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide CAS Name: N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-1-propanesulfonamide IUPAC Name: N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide Traditional Name: N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CCCS(=O)(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C20H28N4O2S/c1-3-15-27(25,26)22-16-18-8-6-10-21-20(18)24-13-11-23(12-14-24)19-9-5-4-7-17(19)2/h4-10,22H,3,11-16H2,1-2H3/p+1