[4-chloranyl-6-(4-methylpiperidin-1-ium-1-yl)sulfonylimino-cyclohexa-2,4-dien-1-ylidene]methanediolate

Systemtic Name: [4-chloranyl-6-(4-methylpiperidin-1-ium-1-yl)sulfonylimino-cyclohexa-2,4-dien-1-ylidene]methanediolate Openeye Name: [4-chloro-6-(4-methylpiperidin-1-ium-1-yl)sulfonylimino-cyclohexa-2,4-dien-1-ylidene]methanediolate CAS Name: [4-chloro-6-[(4-methyl-1-piperidin-1-iumyl)sulfonylimino]-1-cyclohexa-2,4-dienylidene]methanediolate IUPAC Name: [4-chloro-6-(4-methylpiperidin-1-ium-1-yl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanediolate Traditional Name: [4-chloro-6-(4-methylpiperidin-1-ium-1-yl)sulfonylimino-cyclohexa-2,4-dien-1-ylidene]methanediolate Formula: C13H16ClN2O4S- MolecularWeight: 331.79514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)S(=O)(=O)N=C2C=C(C=CC2=C([O-])[O-])Cl

Isomeric SMILES

CC1CC[NH+](CC1)S(=O)(=O)N=C2C=C(C=CC2=C([O-])[O-])Cl

InChI

InChI=1S/C13H17ClN2O4S/c1-9-4-6-16(7-5-9)21(19,20)15-12-8-10(14)2-3-11(12)13(17)18/h2-3,8-9,17-18H,4-7H2,1H3/p-1