(2R)-2-isoquinolin-2-ium-2-yl-N-[(4-methoxyphenyl)methyl]propanamide

Systemtic Name: (2R)-2-isoquinolin-2-ium-2-yl-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: (2R)-2-isoquinolin-2-ium-2-yl-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: (2R)-2-(2-isoquinolin-2-iumyl)-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: (2R)-2-isoquinolin-2-ium-2-yl-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: (2R)-2-isoquinolin-2-ium-2-yl-N-p-anisyl-propionamide Formula: C20H21N2O2+ MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H20N2O2/c1-15(22-12-11-17-5-3-4-6-18(17)14-22)20(23)21-13-16-7-9-19(24-2)10-8-16/h3-12,14-15H,13H2,1-2H3/p+1/t15-/m1/s1