(2S)-2-isoquinolin-2-ium-2-yl-N-(3-methylphenyl)propanamide

Systemtic Name: (2S)-2-isoquinolin-2-ium-2-yl-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-isoquinolin-2-ium-2-yl-N-(m-tolyl)propanamide CAS Name: (2S)-2-(2-isoquinolin-2-iumyl)-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-isoquinolin-2-ium-2-yl-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-isoquinolin-2-ium-2-yl-N-(m-tolyl)propionamide Formula: C19H19N2O+ MolecularWeight: 291.36696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H18N2O/c1-14-6-5-9-18(12-14)20-19(22)15(2)21-11-10-16-7-3-4-8-17(16)13-21/h3-13,15H,1-2H3/p+1/t15-/m0/s1