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

Systemtic Name: N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H24N2O2/c1-16(24)20(13-17-7-3-2-4-8-17)22-21(25)15-23-12-11-18-9-5-6-10-19(18)14-23/h2-10,20H,11-15H2,1H3,(H,22,25)/p+1/t20-/m0/s1