4-[[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-3-ium-2-yl]amino]benzoic acid

Systemtic Name: 4-[[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-3-ium-2-yl]amino]benzoic acid Openeye Name: 4-[[3-ethyl-4-(p-tolyl)thiazol-3-ium-2-yl]amino]benzoic acid CAS Name: 4-[[3-ethyl-4-(4-methylphenyl)-2-thiazol-3-iumyl]amino]benzoic acid IUPAC Name: 4-[[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-3-ium-2-yl]amino]benzoic acid Traditional Name: 4-[[3-ethyl-4-(p-tolyl)thiazol-3-ium-2-yl]amino]benzoic acid Formula: C19H19N2O2S+ MolecularWeight: 339.43136

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC=C1C2=CC=C(C=C2)C)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC[N+]1=C(SC=C1C2=CC=C(C=C2)C)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H18N2O2S/c1-3-21-17(14-6-4-13(2)5-7-14)12-24-19(21)20-16-10-8-15(9-11-16)18(22)23/h4-12H,3H2,1-2H3,(H,22,23)/p+1