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

Systemtic Name: N,N-diethyl-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-(4-benzoylpiperazin-1-yl)-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-(4-benzoyl-1-piperazinyl)-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-(4-benzoylpiperazino)-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c1-3-24(4-2)28(26,27)18-10-11-19(21-16-18)22-12-14-23(15-13-22)20(25)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3/p+1