(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-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=C[N+](=CC=C4)[O-]

Isomeric SMILES

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

InChI

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