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

Systemtic Name: N-(3-oxidanylpropyl)-1-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide CAS Name: N-(3-hydroxypropyl)-1-[1-[(2-prop-2-enoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(3-hydroxypropyl)-1-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: 1-[1-(2-allyloxybenzyl)piperidin-1-ium-4-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCCCO

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCCCO

InChI

InChI=1S/C21H29N5O3/c1-2-14-29-20-7-4-3-6-17(20)15-25-11-8-18(9-12-25)26-16-19(23-24-26)21(28)22-10-5-13-27/h2-4,6-7,16,18,27H,1,5,8-15H2,(H,22,28)/p+1