(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H23N2O4+ MolecularWeight: 379.42902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C([NH+]=CC=C3)N4CCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C([NH+]=CC=C3)N4CCCC4)C

InChI

InChI=1S/C22H22N2O4/c1-14-7-8-17-16(12-19(25)28-20(17)15(14)2)13-27-22(26)18-6-5-9-23-21(18)24-10-3-4-11-24/h5-9,12H,3-4,10-11,13H2,1-2H3/p+1