4-chloranyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]benzenesulfonamide CAS Name: 4-chloro-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]benzenesulfonamide Formula: C16H21ClN4O2S+2 MolecularWeight: 368.88154

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4O2S/c1-20-8-10-21(11-9-20)16-7-4-14(12-18-16)19-24(22,23)15-5-2-13(17)3-6-15/h2-7,12,19H,8-11H2,1H3/p+2