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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-1-ium-4-yl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-1-ium-4-yl)triazole-4-carboxamide CAS Name: 1-[(4-methoxyphenyl)methyl]-N-(1-methyl-4-piperidin-1-iumyl)-4-triazolecarboxamide IUPAC Name: 1-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-1-ium-4-yl)triazole-4-carboxamide Traditional Name: N-(1-methylpiperidin-1-ium-4-yl)-1-p-anisyl-triazole-4-carboxamide Formula: C17H24N5O2+ MolecularWeight: 330.40476

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=CN(N=N2)CC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=CN(N=N2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H23N5O2/c1-21-9-7-14(8-10-21)18-17(23)16-12-22(20-19-16)11-13-3-5-15(24-2)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,18,23)/p+1