(3R)-2-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2C[NH+]1CC3=NC4=CC=CC=C4O3

Isomeric SMILES

CNC(=O)[C@H]1CC2=CC=CC=C2C[NH+]1CC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H19N3O2/c1-20-19(23)16-10-13-6-2-3-7-14(13)11-22(16)12-18-21-15-8-4-5-9-17(15)24-18/h2-9,16H,10-12H2,1H3,(H,20,23)/p+1/t16-/m1/s1