(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C20H14N2O4S MolecularWeight: 378.40116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C20H14N2O4S/c23-19(13-26-20(24)14-9-11-21(25)12-10-14)22-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)22/h1-12H,13H2