N-cyclopentyl-1-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopentyl-1-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopentyl-1-[1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopentyl-1-[1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CCCC4

InChI

InChI=1S/C21H29N5O3/c1-29-19-8-4-5-15(20(19)27)13-25-11-9-17(10-12-25)26-14-18(23-24-26)21(28)22-16-6-2-3-7-16/h4-5,8,14,16-17,27H,2-3,6-7,9-13H2,1H3,(H,22,28)/p+1