N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C16H21N6O3S+ MolecularWeight: 377.44134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3S/c1-3-14-18-19-16(26-14)17-15(23)11-4-5-12(13(10-11)22(24)25)21-8-6-20(2)7-9-21/h4-5,10H,3,6-9H2,1-2H3,(H,17,19,23)/p+1