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

Systemtic Name: N,N-diethyl-1-[(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-[(4-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-(4-hydroxybenzyl)piperidin-1-ium-3-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)C2CCC[NH+](C2)CC3=CC=C(C=C3)O

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)O

InChI

InChI=1S/C19H27N5O2/c1-3-23(4-2)19(26)18-14-24(21-20-18)16-6-5-11-22(13-16)12-15-7-9-17(25)10-8-15/h7-10,14,16,25H,3-6,11-13H2,1-2H3/p+1/t16-/m0/s1