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

Systemtic Name: 1-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-isobutyl-triazole-4-carboxamide CAS Name: 1-[1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-N-(2-methylpropyl)-4-triazolecarboxamide IUPAC Name: 1-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide Traditional Name: 1-[1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]-N-isobutyl-triazole-4-carboxamide Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

Isomeric SMILES

CC(C)CNC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C20H29N5O3/c1-14(2)11-21-20(27)17-13-25(23-22-17)16-7-9-24(10-8-16)12-15-5-4-6-18(28-3)19(15)26/h4-6,13-14,16,26H,7-12H2,1-3H3,(H,21,27)/p+1