(2R)-N-(3-chlorophenyl)-2-isoquinolin-2-ium-2-yl-propanamide

Systemtic Name: (2R)-N-(3-chlorophenyl)-2-isoquinolin-2-ium-2-yl-propanamide Openeye Name: (2R)-N-(3-chlorophenyl)-2-isoquinolin-2-ium-2-yl-propanamide CAS Name: (2R)-N-(3-chlorophenyl)-2-(2-isoquinolin-2-iumyl)propanamide IUPAC Name: (2R)-N-(3-chlorophenyl)-2-isoquinolin-2-ium-2-ylpropanamide Traditional Name: (2R)-N-(3-chlorophenyl)-2-isoquinolin-2-ium-2-yl-propionamide Formula: C18H16ClN2O+ MolecularWeight: 311.78544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O/c1-13(18(22)20-17-8-4-7-16(19)11-17)21-10-9-14-5-2-3-6-15(14)12-21/h2-13H,1H3/p+1/t13-/m1/s1