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

Systemtic Name: (3R)-N-[(2S)-butan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-[(1S)-1-methylpropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-[(2S)-butan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-[(2S)-butan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-[(1S)-1-methylpropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C14H21N2O+ MolecularWeight: 233.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O/c1-3-10(2)16-14(17)13-8-11-6-4-5-7-12(11)9-15-13/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17)/p+1/t10-,13+/m0/s1