N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4,5-dimethylthiazol-2-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4,5-dimethyl-2-thiazolyl)-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4,5-dimethylthiazol-2-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H22N5O3S+ MolecularWeight: 376.45328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C17H21N5O3S/c1-12-13(2)26-17(18-12)19-16(23)11-20-7-9-21(10-8-20)14-5-3-4-6-15(14)22(24)25/h3-6H,7-11H2,1-2H3,(H,18,19,23)/p+1