N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionamide Formula: C23H28ClN4O2+ MolecularWeight: 427.94702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+]3CCCC3)C)C#N

InChI

InChI=1S/C23H27ClN4O2/c1-15-17(16(2)27-23(30)19(15)13-25)9-10-22(29)26-14-21(28-11-5-6-12-28)18-7-3-4-8-20(18)24/h3-4,7-8,21H,5-6,9-12,14H2,1-2H3,(H,26,29)(H,27,30)/p+1/t21-/m0/s1