6,7-dimethoxy-N-[(1S)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium-1-carboxamide

Systemtic Name: 6,7-dimethoxy-N-[(1S)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium-1-carboxamide Openeye Name: 6,7-dimethoxy-N-[(1S)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium-1-carboxamide CAS Name: 6,7-dimethoxy-N-[(1S)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium-1-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(1S)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium-1-carboxamide Traditional Name: 6,7-dimethoxy-N-[(1S)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium-1-carboxamide Formula: C20H23N2O3+ MolecularWeight: 339.40822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=[NH+]CCC3=CC(=C(C=C32)OC)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2=[NH+]CCC3=CC(=C(C=C32)OC)OC

InChI

InChI=1S/C20H22N2O3/c1-13(14-7-5-4-6-8-14)22-20(23)19-16-12-18(25-3)17(24-2)11-15(16)9-10-21-19/h4-8,11-13H,9-10H2,1-3H3,(H,22,23)/p+1/t13-/m0/s1