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

Systemtic Name: N-(3-oxidanylpropyl)-1-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-hydroxypropyl)-1-[1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-(3-hydroxypropyl)-1-[1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(3-hydroxypropyl)-1-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-(3-hydroxypropyl)-1-[1-(4-isopropylbenzyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C21H32N5O2+ MolecularWeight: 386.51108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCCCO

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCCCO

InChI

InChI=1S/C21H31N5O2/c1-16(2)18-6-4-17(5-7-18)14-25-11-8-19(9-12-25)26-15-20(23-24-26)21(28)22-10-3-13-27/h4-7,15-16,19,27H,3,8-14H2,1-2H3,(H,22,28)/p+1