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

Systemtic Name: N-cyclopropyl-1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C24H27N5O2/c30-24(25-19-9-10-19)23-17-29(27-26-23)20-11-13-28(14-12-20)16-18-5-4-8-22(15-18)31-21-6-2-1-3-7-21/h1-8,15,17,19-20H,9-14,16H2,(H,25,30)/p+1