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

Systemtic Name: (2R)-N-(4-acetamidophenyl)-2-isoquinolin-2-ium-2-yl-propanamide Openeye Name: (2R)-N-(4-acetamidophenyl)-2-isoquinolin-2-ium-2-yl-propanamide CAS Name: (2R)-N-(4-acetamidophenyl)-2-(2-isoquinolin-2-iumyl)propanamide IUPAC Name: (2R)-N-(4-acetamidophenyl)-2-isoquinolin-2-ium-2-ylpropanamide Traditional Name: (2R)-N-(4-acetamidophenyl)-2-isoquinolin-2-ium-2-yl-propionamide Formula: C20H20N3O2+ MolecularWeight: 334.3917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2/c1-14(23-12-11-16-5-3-4-6-17(16)13-23)20(25)22-19-9-7-18(8-10-19)21-15(2)24/h3-14H,1-2H3,(H-,21,22,24,25)/p+1/t14-/m1/s1