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

Systemtic Name: 4-methyl-N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 4-methyl-N-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 4-methyl-N-[3-oxo-3-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: 4-methyl-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]-4-methyl-benzenesulfonamide Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-16-2-4-18(5-3-16)27(25,26)21-11-8-19(24)23-14-12-22(13-15-23)17-6-9-20-10-7-17/h2-7,9-10,21H,8,11-15H2,1H3/p+1