(4R)-2-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4R)-2-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-2-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-2-(1-benzotriazolylmethyl)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-2-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-2-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H21N4+ MolecularWeight: 341.42894

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2C[NH+]1CN3C4=CC=CC=C4N=N3)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H](C2=CC=CC=C2C[NH+]1CN3C4=CC=CC=C4N=N3)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4/c1-2-8-17(9-3-1)20-15-25(14-18-10-4-5-11-19(18)20)16-26-22-13-7-6-12-21(22)23-24-26/h1-13,20H,14-16H2/p+1/t20-/m1/s1