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

Systemtic Name: N-(2-hydroxyethyl)-N-methyl-1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-hydroxyethyl)-N-methyl-1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-(2-hydroxyethyl)-N-methyl-1-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(2-hydroxyethyl)-N-methyl-1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-(2-hydroxyethyl)-N-methyl-1-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C24H30N5O3+ MolecularWeight: 436.5267

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CN(CCO)C(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O3/c1-27(14-15-30)24(31)23-18-29(26-25-23)20-10-12-28(13-11-20)17-19-6-5-9-22(16-19)32-21-7-3-2-4-8-21/h2-9,16,18,20,30H,10-15,17H2,1H3/p+1