1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxidanylidene-pyridine-3-sulfonamide

Systemtic Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxidanylidene-pyridine-3-sulfonamide Openeye Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxo-pyridine-3-sulfonamide CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-N,N-dimethyl-6-oxo-3-pyridinesulfonamide IUPAC Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide Traditional Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-keto-N,N-dimethyl-pyridine-3-sulfonamide Formula: C18H24ClN4O3S+ MolecularWeight: 411.92616

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CN(C(=O)C=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=CN(C(=O)C=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H23ClN4O3S/c1-20(2)27(25,26)17-6-7-18(24)23(13-17)14-21-8-10-22(11-9-21)16-5-3-4-15(19)12-16/h3-7,12-13H,8-11,14H2,1-2H3/p+1