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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C16H21N6O3S+ MolecularWeight: 377.44134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3S/c1-2-15-18-19-16(26-15)17-14(23)11-20-7-9-21(10-8-20)12-3-5-13(6-4-12)22(24)25/h3-6H,2,7-11H2,1H3,(H,17,19,23)/p+1