1-[4-[4-[(methylazaniumyl)methyl]phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate

Systemtic Name: 1-[4-[4-[(methylazaniumyl)methyl]phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate Openeye Name: 1-[4-[4-[(methylammonio)methyl]phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate CAS Name: 1-[4-[4-[(methylammonio)methyl]phenyl]sulfonylimino-1-cyclohexa-2,5-dienylidene]ethanolate IUPAC Name: 1-[4-[4-[(methylazaniumyl)methyl]phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate Traditional Name: 1-[4-[4-[(methylammonio)methyl]phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=NS(=O)(=O)C2=CC=C(C=C2)C[NH2+]C)C=C1)[O-]

Isomeric SMILES

CC(=C1C=CC(=NS(=O)(=O)C2=CC=C(C=C2)C[NH2+]C)C=C1)[O-]

InChI

InChI=1S/C16H18N2O3S/c1-12(19)14-5-7-15(8-6-14)18-22(20,21)16-9-3-13(4-10-16)11-17-2/h3-10,17,19H,11H2,1-2H3