(2S)-N-ethyl-2-isoquinolin-2-ium-2-yl-N-phenyl-propanamide

Systemtic Name: (2S)-N-ethyl-2-isoquinolin-2-ium-2-yl-N-phenyl-propanamide Openeye Name: (2S)-N-ethyl-2-isoquinolin-2-ium-2-yl-N-phenyl-propanamide CAS Name: (2S)-N-ethyl-2-(2-isoquinolin-2-iumyl)-N-phenylpropanamide IUPAC Name: (2S)-N-ethyl-2-isoquinolin-2-ium-2-yl-N-phenylpropanamide Traditional Name: (2S)-N-ethyl-2-isoquinolin-2-ium-2-yl-N-phenyl-propionamide Formula: C20H21N2O+ MolecularWeight: 305.39354

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H21N2O/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/h4-16H,3H2,1-2H3/q+1/t16-/m0/s1