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

Systemtic Name: 4-[[4-(4-methylphenyl)-3-(phenylmethyl)-1,3-thiazol-3-ium-2-yl]amino]benzoic acid Openeye Name: 4-[[3-benzyl-4-(p-tolyl)thiazol-3-ium-2-yl]amino]benzoic acid CAS Name: 4-[[4-(4-methylphenyl)-3-(phenylmethyl)-2-thiazol-3-iumyl]amino]benzoic acid IUPAC Name: 4-[[3-benzyl-4-(4-methylphenyl)-1,3-thiazol-3-ium-2-yl]amino]benzoic acid Traditional Name: 4-[[3-benzyl-4-(p-tolyl)thiazol-3-ium-2-yl]amino]benzoic acid Formula: C24H21N2O2S+ MolecularWeight: 401.50074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H20N2O2S/c1-17-7-9-19(10-8-17)22-16-29-24(26(22)15-18-5-3-2-4-6-18)25-21-13-11-20(12-14-21)23(27)28/h2-14,16H,15H2,1H3,(H,27,28)/p+1