(2S)-N-(3-methylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2S)-N-(3-methylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2S)-N-(m-tolyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2S)-N-(m-tolyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C19H23N2O+ MolecularWeight: 295.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C19H22N2O/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/h5-6,9-13,15H,3-4,7-8H2,1-2H3/p+1/t15-/m0/s1