2-(benzotriazol-1-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-(benzotriazol-1-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-(benzotriazol-1-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-(1-benzotriazolylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-(benzotriazol-1-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(benzotriazol-1-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H21N4O2+ MolecularWeight: 325.38494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=CC=CC=C4N=N3)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=CC=CC=C4N=N3)OC

InChI

InChI=1S/C18H20N4O2/c1-23-17-9-13-7-8-21(11-14(13)10-18(17)24-2)12-22-16-6-4-3-5-15(16)19-20-22/h3-6,9-10H,7-8,11-12H2,1-2H3/p+1