2-isoquinolin-2-ium-2-yl-N-[(2R)-4-phenylbutan-2-yl]ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-[(2R)-4-phenylbutan-2-yl]ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[(2R)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide Formula: C21H23N2O+ MolecularWeight: 319.42012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O/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/h2-10,13-15,17H,11-12,16H2,1H3/p+1/t17-/m1/s1