(1R)-1-(benzotriazol-1-ylmethyl)-1,2-dihydroisoquinolin-2-ium

Systemtic Name: (1R)-1-(benzotriazol-1-ylmethyl)-1,2-dihydroisoquinolin-2-ium Openeye Name: (1R)-1-(benzotriazol-1-ylmethyl)-1,2-dihydroisoquinolin-2-ium CAS Name: (1R)-1-(1-benzotriazolylmethyl)-1,2-dihydroisoquinolin-2-ium IUPAC Name: (1R)-1-(benzotriazol-1-ylmethyl)-1,2-dihydroisoquinolin-2-ium Traditional Name: (1R)-1-(benzotriazol-1-ylmethyl)-1,2-dihydroisoquinolin-2-ium Formula: C16H15N4+ MolecularWeight: 263.3171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C([NH2+]C=CC2=C1)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2[C@@H]([NH2+]C=CC2=C1)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H14N4/c1-2-6-13-12(5-1)9-10-17-15(13)11-20-16-8-4-3-7-14(16)18-19-20/h1-10,15,17H,11H2/p+1/t15-/m0/s1