N,N-diethyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(benzenesulfonyl)-1-piperazinyl]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-(4-besylpiperazino)-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C19H27N4O4S2+ MolecularWeight: 439.57208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4S2/c1-3-22(4-2)29(26,27)18-10-11-19(20-16-18)21-12-14-23(15-13-21)28(24,25)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3/p+1