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

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

CC1CCCC[NH+]1S(=O)(=O)N=C2C=C(C=CC2=C([O-])[O-])Cl

Isomeric SMILES

C[C@H]1CCCC[NH+]1S(=O)(=O)N=C2C=C(C=CC2=C([O-])[O-])Cl

InChI

InChI=1S/C13H17ClN2O4S/c1-9-4-2-3-7-16(9)21(19,20)15-12-8-10(14)5-6-11(12)13(17)18/h5-6,8-9,17-18H,2-4,7H2,1H3/p-1/t9-/m0/s1