[3-chloranyl-6-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonylimino-cyclohexa-2,4-dien-1-ylidene]methanediolate

Systemtic Name: [3-chloranyl-6-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonylimino-cyclohexa-2,4-dien-1-ylidene]methanediolate Openeye Name: [3-chloro-6-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonylimino-cyclohexa-2,4-dien-1-ylidene]methanediolate CAS Name: [3-chloro-6-[[(3S)-3-methyl-1-piperidin-1-iumyl]sulfonylimino]-1-cyclohexa-2,4-dienylidene]methanediolate IUPAC Name: [3-chloro-6-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanediolate Traditional Name: [3-chloro-6-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonylimino-cyclohexa-2,4-dien-1-ylidene]methanediolate Formula: C13H16ClN2O4S- MolecularWeight: 331.79514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)S(=O)(=O)N=C2C=CC(=CC2=C([O-])[O-])Cl

Isomeric SMILES

C[C@H]1CCC[NH+](C1)S(=O)(=O)N=C2C=CC(=CC2=C([O-])[O-])Cl

InChI

InChI=1S/C13H17ClN2O4S/c1-9-3-2-6-16(8-9)21(19,20)15-12-5-4-10(14)7-11(12)13(17)18/h4-5,7,9,17-18H,2-3,6,8H2,1H3/p-1/t9-/m0/s1