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

Systemtic Name: N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-(1-salicylpiperidin-1-ium-4-yl)triazole-4-carboxamide Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O2/c1-3-23(4-2)19(26)17-14-24(21-20-17)16-9-11-22(12-10-16)13-15-7-5-6-8-18(15)25/h5-8,14,16,25H,3-4,9-13H2,1-2H3/p+1