N,N-diethyl-2-[4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]carbonyl-1,2,3-triazol-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]carbonyl-1,2,3-triazol-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]triazol-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-oxomethyl]-1-triazolyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]triazol-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]triazol-1-yl]acetamide Formula: C19H28N7O2+ MolecularWeight: 386.47132

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C=C(N=N1)C(=O)N2CCN(CC2)C3=CC=CC(=[NH+]3)C

Isomeric SMILES

CCN(CC)C(=O)CN1C=C(N=N1)C(=O)N2CCN(CC2)C3=CC=CC(=[NH+]3)C

InChI

InChI=1S/C19H27N7O2/c1-4-23(5-2)18(27)14-26-13-16(21-22-26)19(28)25-11-9-24(10-12-25)17-8-6-7-15(3)20-17/h6-8,13H,4-5,9-12,14H2,1-3H3/p+1