3,4-dimethyl-N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 3,4-dimethyl-N-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 3,4-dimethyl-N-[3-oxo-3-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: N-[3-keto-3-(4-pyridin-1-ium-4-ylpiperazino)propyl]-3,4-dimethyl-benzenesulfonamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C

InChI

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