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

Systemtic Name: 2-(benzotriazol-1-ylmethyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-(benzotriazol-1-ylmethyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-(1-benzotriazolylmethyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-(benzotriazol-1-ylmethyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(benzotriazol-1-ylmethyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H19N4O+ MolecularWeight: 295.35896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC[NH+](C2)CN3C4=CC=CC=C4N=N3)C=C1

Isomeric SMILES

COC1=CC2=C(CC[NH+](C2)CN3C4=CC=CC=C4N=N3)C=C1

InChI

InChI=1S/C17H18N4O/c1-22-15-7-6-13-8-9-20(11-14(13)10-15)12-21-17-5-3-2-4-16(17)18-19-21/h2-7,10H,8-9,11-12H2,1H3/p+1