3-[(2-chlorophenyl)methyl]-1,3-thiazol-3-ium-2-amine; 2-(1H-indol-3-yl)ethanoate

Systemtic Name: 3-[(2-chlorophenyl)methyl]-1,3-thiazol-3-ium-2-amine; 2-(1H-indol-3-yl)ethanoate Openeye Name: 3-[(2-chlorophenyl)methyl]thiazol-3-ium-2-amine; 2-(1H-indol-3-yl)acetate CAS Name: 3-[(2-chlorophenyl)methyl]-2-thiazol-3-iumamine; 2-(1H-indol-3-yl)acetate IUPAC Name: 3-[(2-chlorophenyl)methyl]-1,3-thiazol-3-ium-2-amine; 2-(1H-indol-3-yl)acetate Traditional Name: [3-(2-chlorobenzyl)thiazol-3-ium-2-yl]amine; 2-(1H-indol-3-yl)acetate Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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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=C2C(=C1)C(=CN2)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=C(SC=C2)N)Cl.C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-]

InChI

InChI=1S/C10H9ClN2S.C10H9NO2/c11-9-4-2-1-3-8(9)7-13-5-6-14-10(13)12;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-6,12H,7H2;1-4,6,11H,5H2,(H,12,13)