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

Systemtic Name: N-[(2S)-4-phenylbutan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[(1S)-1-methyl-3-phenyl-propyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(2S)-4-phenylbutan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[(2S)-4-phenylbutan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[(1S)-1-methyl-3-phenyl-propyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O/c1-17(11-12-18-7-3-2-4-8-18)22-21(24)16-23-14-13-19-9-5-6-10-20(19)15-23/h2-10,17H,11-16H2,1H3,(H,22,24)/p+1/t17-/m0/s1