N-cyclopropyl-2-[4-(1-ethylbenzotriazol-5-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(1-ethylbenzotriazol-5-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H25N6O2+ MolecularWeight: 357.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)N=N1

InChI

InChI=1S/C18H24N6O2/c1-2-24-16-6-3-13(11-15(16)20-21-24)18(26)23-9-7-22(8-10-23)12-17(25)19-14-4-5-14/h3,6,11,14H,2,4-5,7-10,12H2,1H3,(H,19,25)/p+1