(2R)-N-(4-cyanophenyl)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-(6,7-dimethoxy-2-isoquinolin-2-iumyl)propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)propionamide Formula: C21H20N3O3+ MolecularWeight: 362.4018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[N+]2=CC3=CC(=C(C=C3C=C2)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)[N+]2=CC3=CC(=C(C=C3C=C2)OC)OC

InChI

InChI=1S/C21H19N3O3/c1-14(21(25)23-18-6-4-15(12-22)5-7-18)24-9-8-16-10-19(26-2)20(27-3)11-17(16)13-24/h4-11,13-14H,1-3H3/p+1/t14-/m1/s1