N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C([NH+]=CC=C2)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C([NH+]=CC=C2)N3CCCC3)C

InChI

InChI=1S/C18H22N4O2/c1-12-10-13(2)21-18(24)15(12)11-20-17(23)14-6-5-7-19-16(14)22-8-3-4-9-22/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,20,23)(H,21,24)/p+1