(phenylmethyl) 3-(2-oxidanylidene-1,3-dithiol-4-yl)quinoxalin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(2-oxidanylidene-1,3-dithiol-4-yl)quinoxalin-1-ium-1-carboxylate Openeye Name: benzyl 3-(2-oxo-1,3-dithiol-4-yl)quinoxalin-1-ium-1-carboxylate CAS Name: 3-(2-oxo-1,3-dithiol-4-yl)-1-quinoxalin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-oxo-1,3-dithiol-4-yl)quinoxalin-1-ium-1-carboxylate Traditional Name: 3-(2-keto-1,3-dithiol-4-yl)quinoxalin-1-ium-1-carboxylic acid benzyl ester Formula: C19H13N2O3S2+ MolecularWeight: 381.44812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)[N+]2=CC(=NC3=CC=CC=C32)C4=CSC(=O)S4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[N+]2=CC(=NC3=CC=CC=C32)C4=CSC(=O)S4

InChI

InChI=1S/C19H13N2O3S2/c22-18(24-11-13-6-2-1-3-7-13)21-10-15(17-12-25-19(23)26-17)20-14-8-4-5-9-16(14)21/h1-10,12H,11H2/q+1