(2R)-N-(4-ethanoylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C20H23N2O2+ MolecularWeight: 323.40882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C20H22N2O2/c1-14(22-12-11-17-5-3-4-6-18(17)13-22)20(24)21-19-9-7-16(8-10-19)15(2)23/h7-14H,3-6H2,1-2H3/p+1/t14-/m1/s1