N-(2-methyl-1,2,3-triazol-4-yl)-2-[4-(6-piperazin-4-ium-1-ylpyridin-2-yl)pyrazol-1-yl]ethanamide

Systemtic Name: N-(2-methyl-1,2,3-triazol-4-yl)-2-[4-(6-piperazin-4-ium-1-ylpyridin-2-yl)pyrazol-1-yl]ethanamide Openeye Name: N-(2-methyltriazol-4-yl)-2-[4-(6-piperazin-4-ium-1-yl-2-pyridyl)pyrazol-1-yl]acetamide CAS Name: N-(2-methyl-4-triazolyl)-2-[4-[6-(1-piperazin-4-iumyl)-2-pyridinyl]-1-pyrazolyl]acetamide IUPAC Name: N-(2-methyltriazol-4-yl)-2-[4-(6-piperazin-4-ium-1-ylpyridin-2-yl)pyrazol-1-yl]acetamide Traditional Name: N-(2-methyltriazol-4-yl)-2-[4-(6-piperazin-4-ium-1-yl-2-pyridyl)pyrazol-1-yl]acetamide Formula: C17H22N9O+ MolecularWeight: 368.41628

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=CC(=N1)NC(=O)CN2C=C(C=N2)C3=NC(=CC=C3)N4CC[NH2+]CC4

Isomeric SMILES

CN1N=CC(=N1)NC(=O)CN2C=C(C=N2)C3=NC(=CC=C3)N4CC[NH2+]CC4

InChI

InChI=1S/C17H21N9O/c1-24-19-10-15(23-24)22-17(27)12-26-11-13(9-20-26)14-3-2-4-16(21-14)25-7-5-18-6-8-25/h2-4,9-11,18H,5-8,12H2,1H3,(H,22,23,27)/p+1