1-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]triazole-4-carboxylate CAS Name: 1-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]triazole-4-carboxylate Traditional Name: 1-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]triazole-4-carboxylate Formula: C14H16N4O2 MolecularWeight: 272.30244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCN3C=C(N=N3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCN3C=C(N=N3)C(=O)[O-]

InChI

InChI=1S/C14H16N4O2/c19-14(20)13-10-18(16-15-13)8-7-17-6-5-11-3-1-2-4-12(11)9-17/h1-4,10H,5-9H2,(H,19,20)