1-[(4-methoxyphenyl)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide CAS Name: 1-[(4-methoxyphenyl)methyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-p-anisyl-triazole-4-carboxamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=C(N=N2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=C(N=N2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-30-21-9-7-19(8-10-21)16-28-17-22(25-26-28)23(29)24-20-11-13-27(14-12-20)15-18-5-3-2-4-6-18/h2-10,17,20H,11-16H2,1H3,(H,24,29)/p+1