N,4-dimethyl-N-[4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]benzenesulfonamide

Systemtic Name: N,4-dimethyl-N-[4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]benzenesulfonamide Openeye Name: N,4-dimethyl-N-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]benzenesulfonamide CAS Name: N,4-dimethyl-N-[4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butyl]benzenesulfonamide IUPAC Name: N,4-dimethyl-N-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]benzenesulfonamide Traditional Name: N-[4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyl]-N,4-dimethyl-benzenesulfonamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H28N4O3S/c1-18-8-10-19(11-9-18)29(27,28)23(2)13-5-7-21(26)25-16-14-24(15-17-25)20-6-3-4-12-22-20/h3-4,6,8-12H,5,7,13-17H2,1-2H3/p+1