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

Systemtic Name: N-cyclopentyl-1-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-[(2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-cyclopentyl-1-[(3S)-1-salicylpiperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CN(N=N2)C3CCC[NH+](C3)CC4=CC=CC=C4O

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CN(N=N2)[C@H]3CCC[NH+](C3)CC4=CC=CC=C4O

InChI

InChI=1S/C20H27N5O2/c26-19-10-4-1-6-15(19)12-24-11-5-9-17(13-24)25-14-18(22-23-25)20(27)21-16-7-2-3-8-16/h1,4,6,10,14,16-17,26H,2-3,5,7-9,11-13H2,(H,21,27)/p+1/t17-/m0/s1