3-[(2-chlorophenyl)methyl]-1,3-thiazol-3-ium-2-amine; 2-oxidanylbenzoate

Systemtic Name: 3-[(2-chlorophenyl)methyl]-1,3-thiazol-3-ium-2-amine; 2-oxidanylbenzoate Openeye Name: 3-[(2-chlorophenyl)methyl]thiazol-3-ium-2-amine; 2-hydroxybenzoate CAS Name: 3-[(2-chlorophenyl)methyl]-2-thiazol-3-iumamine; 2-hydroxybenzoate IUPAC Name: 3-[(2-chlorophenyl)methyl]-1,3-thiazol-3-ium-2-amine; 2-hydroxybenzoate Traditional Name: [3-(2-chlorobenzyl)thiazol-3-ium-2-yl]amine; salicylate Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[N+]2=C(SC=C2)N)Cl.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=C(SC=C2)N)Cl.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C10H9ClN2S.C7H6O3/c11-9-4-2-1-3-8(9)7-13-5-6-14-10(13)12;8-6-4-2-1-3-5(6)7(9)10/h1-6,12H,7H2;1-4,8H,(H,9,10)