(2R)-2-isoquinolin-2-ium-2-yl-N-(4-phenylmethoxyphenyl)propanamide

Systemtic Name: (2R)-2-isoquinolin-2-ium-2-yl-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: (2R)-N-(4-benzyloxyphenyl)-2-isoquinolin-2-ium-2-yl-propanamide CAS Name: (2R)-2-(2-isoquinolin-2-iumyl)-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: (2R)-2-isoquinolin-2-ium-2-yl-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: (2R)-N-(4-benzoxyphenyl)-2-isoquinolin-2-ium-2-yl-propionamide Formula: C25H23N2O2+ MolecularWeight: 383.46232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H22N2O2/c1-19(27-16-15-21-9-5-6-10-22(21)17-27)25(28)26-23-11-13-24(14-12-23)29-18-20-7-3-2-4-8-20/h2-17,19H,18H2,1H3/p+1/t19-/m1/s1