N-[(2S)-2-phenylpropyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[(2S)-2-phenylpropyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[(2S)-2-phenylpropyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(2S)-2-phenylpropyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[(2S)-2-phenylpropyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[(2S)-2-phenylpropyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C20H25N2O+ MolecularWeight: 309.4253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C[NH+]1CCC2=CC=CC=C2C1)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C[NH+]1CCC2=CC=CC=C2C1)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O/c1-16(17-7-3-2-4-8-17)13-21-20(23)15-22-12-11-18-9-5-6-10-19(18)14-22/h2-10,16H,11-15H2,1H3,(H,21,23)/p+1/t16-/m1/s1