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

Systemtic Name: 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide Openeye Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propionamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NCC(C2=CC=CC=C2OC)[NH+]3CCCC3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NC[C@@H](C2=CC=CC=C2OC)[NH+]3CCCC3)C)C#N

InChI

InChI=1S/C24H30N4O3/c1-16-18(17(2)27-24(30)20(16)14-25)10-11-23(29)26-15-21(28-12-6-7-13-28)19-8-4-5-9-22(19)31-3/h4-5,8-9,21H,6-7,10-13,15H2,1-3H3,(H,26,29)(H,27,30)/p+1/t21-/m0/s1