4-(4-chlorophenyl)-N,3-diphenyl-1,3-thiazol-3-ium-2-amine; quinoline-2-carboxylate

Systemtic Name: 4-(4-chlorophenyl)-N,3-diphenyl-1,3-thiazol-3-ium-2-amine; quinoline-2-carboxylate Openeye Name: 4-(4-chlorophenyl)-N,3-diphenyl-thiazol-3-ium-2-amine; quinoline-2-carboxylate CAS Name: 4-(4-chlorophenyl)-N,3-diphenyl-2-thiazol-3-iumamine; 2-quinolinecarboxylate IUPAC Name: 4-(4-chlorophenyl)-N,3-diphenyl-1,3-thiazol-3-ium-2-amine; quinoline-2-carboxylate Traditional Name: [4-(4-chlorophenyl)-3-phenyl-thiazol-3-ium-2-yl]-phenyl-amine; quinaldate Formula: C31H22ClN3O2S MolecularWeight: 536.04328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4.C1=CC=C2C(=C1)C=CC(=N2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4.C1=CC=C2C(=C1)C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C21H15ClN2S.C10H7NO2/c22-17-13-11-16(12-14-17)20-15-25-21(23-18-7-3-1-4-8-18)24(20)19-9-5-2-6-10-19;12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-15H;1-6H,(H,12,13)