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

Systemtic Name: N-cyclopropyl-1-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-(3-ethoxy-4-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:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4)OC

InChI

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