1-[1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-isobutyl-1-[1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: 1-[1-[(4-methoxy-3-methylphenyl)methyl]-4-piperidin-1-iumyl]-N-(2-methylpropyl)-4-triazolecarboxamide IUPAC Name: 1-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide Traditional Name: N-isobutyl-1-[1-(4-methoxy-3-methyl-benzyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C21H32N5O2+ MolecularWeight: 386.51108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCC(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCC(C)C)OC

InChI

InChI=1S/C21H31N5O2/c1-15(2)12-22-21(27)19-14-26(24-23-19)18-7-9-25(10-8-18)13-17-5-6-20(28-4)16(3)11-17/h5-6,11,14-15,18H,7-10,12-13H2,1-4H3,(H,22,27)/p+1