5-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-2-phenyl-triazole-4-carboxamide CAS Name: 5-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-2-phenyl-4-triazolecarboxamide IUPAC Name: 5-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-2-phenyltriazole-4-carboxamide Traditional Name: 5-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-2-phenyl-triazole-4-carboxamide Formula: C17H23N6O2+ MolecularWeight: 343.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=NN(N=C2C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=NN(N=C2C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C17H22N6O2/c1-12-7-9-22(10-8-12)11-14(24)19-17-15(16(18)25)20-23(21-17)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H2,18,25)(H,19,21,24)/p+1