(2S)-N-(4-ethylphenyl)-2-isoquinolin-2-ium-2-yl-propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-isoquinolin-2-ium-2-yl-propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-isoquinolin-2-ium-2-yl-propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-(2-isoquinolin-2-iumyl)propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-isoquinolin-2-ium-2-ylpropanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-isoquinolin-2-ium-2-yl-propionamide Formula: C20H21N2O+ MolecularWeight: 305.39354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H20N2O/c1-3-16-8-10-19(11-9-16)21-20(23)15(2)22-13-12-17-6-4-5-7-18(17)14-22/h4-15H,3H2,1-2H3/p+1/t15-/m0/s1