(2S)-N-(4-ethylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C20H25N2O+ MolecularWeight: 309.4253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H24N2O/c1-3-16-8-10-19(11-9-16)21-20(23)15(2)22-13-12-17-6-4-5-7-18(17)14-22/h4-11,15H,3,12-14H2,1-2H3,(H,21,23)/p+1/t15-/m0/s1