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

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-isoquinolin-2-ium-2-yl-propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-isoquinolin-2-ium-2-yl-propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-(2-isoquinolin-2-iumyl)propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-isoquinolin-2-ium-2-ylpropanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-isoquinolin-2-ium-2-yl-propionamide Formula: C19H16N3O+ MolecularWeight: 302.34984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O/c1-14(19(23)21-18-8-6-15(12-20)7-9-18)22-11-10-16-4-2-3-5-17(16)13-22/h2-11,13-14H,1H3/p+1/t14-/m1/s1