1-[(2-methylphenyl)methyl]-N-[(1-phenethylpiperidin-1-ium-4-yl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(2-methylphenyl)methyl]-N-[(1-phenethylpiperidin-1-ium-4-yl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(o-tolylmethyl)-N-[(1-phenethylpiperidin-1-ium-4-yl)methyl]triazole-4-carboxamide CAS Name: 1-[(2-methylphenyl)methyl]-N-[(1-phenethyl-4-piperidin-1-iumyl)methyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-methylphenyl)methyl]-N-[(1-phenethylpiperidin-1-ium-4-yl)methyl]triazole-4-carboxamide Traditional Name: 1-(2-methylbenzyl)-N-[(1-phenethylpiperidin-1-ium-4-yl)methyl]triazole-4-carboxamide Formula: C25H32N5O+ MolecularWeight: 418.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NCC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NCC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O/c1-20-7-5-6-10-23(20)18-30-19-24(27-28-30)25(31)26-17-22-12-15-29(16-13-22)14-11-21-8-3-2-4-9-21/h2-10,19,22H,11-18H2,1H3,(H,26,31)/p+1