N-[(2R)-4-phenylbutan-2-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[(2R)-4-phenylbutan-2-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(2R)-4-phenylbutan-2-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[(2R)-4-phenylbutan-2-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[(1R)-1-methyl-3-phenyl-propyl]-2-(5,6,7,8-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[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C[N+]2=CC3=C(CCCC3)C=C2

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/h2-4,7-8,13-15,17H,5-6,9-12,16H2,1H3/p+1/t17-/m1/s1