3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)C)C#N

InChI

InChI=1S/C23H28N4O2/c1-16-20(17(2)26-23(29)21(16)13-24)9-10-22(28)25-14-18-7-3-4-8-19(18)15-27-11-5-6-12-27/h3-4,7-8H,5-6,9-12,14-15H2,1-2H3,(H,25,28)(H,26,29)/p+1