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

Systemtic Name: 1-[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[1-[(2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-(1-salicylpiperidin-1-ium-4-yl)triazole-4-carboxamide Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC=CC=C3O

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC=CC=C3O

InChI

InChI=1S/C18H25N5O2/c1-13(2)19-18(25)16-12-23(21-20-16)15-7-9-22(10-8-15)11-14-5-3-4-6-17(14)24/h3-6,12-13,15,24H,7-11H2,1-2H3,(H,19,25)/p+1