(3R)-N-[(2S)-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-[(2S)-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-[(1S)-1,2-dimethylpropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-[(2S)-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-[(2S)-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-[(1S)-1,2-dimethylpropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C15H23N2O+ MolecularWeight: 247.35592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C1CC2=CC=CC=C2C[NH2+]1

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)[C@H]1CC2=CC=CC=C2C[NH2+]1

InChI

InChI=1S/C15H22N2O/c1-10(2)11(3)17-15(18)14-8-12-6-4-5-7-13(12)9-16-14/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18)/p+1/t11-,14+/m0/s1