3-[2-[(2,4-dichlorophenyl)amino]-4-phenyl-1,3-thiazol-3-ium-3-yl]propanoic acid

Systemtic Name: 3-[2-[(2,4-dichlorophenyl)amino]-4-phenyl-1,3-thiazol-3-ium-3-yl]propanoic acid Openeye Name: 3-[2-(2,4-dichloroanilino)-4-phenyl-thiazol-3-ium-3-yl]propanoic acid CAS Name: 3-[2-(2,4-dichloroanilino)-4-phenyl-3-thiazol-3-iumyl]propanoic acid IUPAC Name: 3-[2-(2,4-dichloroanilino)-4-phenyl-1,3-thiazol-3-ium-3-yl]propanoic acid Traditional Name: 3-[2-(2,4-dichloroanilino)-4-phenyl-thiazol-3-ium-3-yl]propionic acid Formula: C18H15Cl2N2O2S+ MolecularWeight: 394.2949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=[N+]2CCC(=O)O)NC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=[N+]2CCC(=O)O)NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O2S/c19-13-6-7-15(14(20)10-13)21-18-22(9-8-17(23)24)16(11-25-18)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,23,24)/p+1