(2S)-N-ethyl-N-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2S)-N-ethyl-N-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2S)-N-ethyl-N-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2S)-N-ethyl-N-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2S)-N-ethyl-N-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2S)-N-ethyl-N-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N2O/c1-3-22(19-11-5-4-6-12-19)20(23)16(2)21-14-13-17-9-7-8-10-18(17)15-21/h4-6,11-16H,3,7-10H2,1-2H3/q+1/t16-/m0/s1