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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-N-[(1-phenethylpiperidin-1-ium-4-yl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(4-methoxyphenyl)methyl]-N-[(1-phenethylpiperidin-1-ium-4-yl)methyl]triazole-4-carboxamide CAS Name: 1-[(4-methoxyphenyl)methyl]-N-[(1-phenethyl-4-piperidin-1-iumyl)methyl]-4-triazolecarboxamide IUPAC Name: 1-[(4-methoxyphenyl)methyl]-N-[(1-phenethylpiperidin-1-ium-4-yl)methyl]triazole-4-carboxamide Traditional Name: 1-p-anisyl-N-[(1-phenethylpiperidin-1-ium-4-yl)methyl]triazole-4-carboxamide Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=C(N=N2)C(=O)NCC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=C(N=N2)C(=O)NCC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O2/c1-32-23-9-7-22(8-10-23)18-30-19-24(27-28-30)25(31)26-17-21-12-15-29(16-13-21)14-11-20-5-3-2-4-6-20/h2-10,19,21H,11-18H2,1H3,(H,26,31)/p+1