1-(4-nitrophenyl)-2-quinolin-1-ium-2-ylsulfanyl-ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-quinolin-1-ium-2-ylsulfanyl-ethanone Openeye Name: 1-(4-nitrophenyl)-2-quinolin-1-ium-2-ylsulfanyl-ethanone CAS Name: 1-(4-nitrophenyl)-2-(2-quinolin-1-iumylthio)ethanone IUPAC Name: 1-(4-nitrophenyl)-2-quinolin-1-ium-2-ylsulfanylethanone Traditional Name: 1-(4-nitrophenyl)-2-(quinolin-1-ium-2-ylthio)ethanone Formula: C17H13N2O3S+ MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=[NH+]2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=[NH+]2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O3S/c20-16(13-5-8-14(9-6-13)19(21)22)11-23-17-10-7-12-3-1-2-4-15(12)18-17/h1-10H,11H2/p+1