2-methyl-6-(2-morpholin-4-ylethyl)-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-methyl-6-(2-morpholin-4-ylethyl)-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-methyl-6-(2-morpholinoethyl)-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-methyl-6-[2-(4-morpholinyl)ethyl]-4-(1-oxido-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-methyl-6-(2-morpholin-4-ylethyl)-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-methyl-6-(2-morpholinoethyl)-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CCN2CCOCC2)C(=O)O)C3=C[N+](=CC=C3)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CCN2CCOCC2)C(=O)O)C3=C[N+](=CC=C3)[O-])C(=O)O

InChI

InChI=1S/C19H23N3O6/c1-12-15(18(23)24)16(13-3-2-5-22(27)11-13)17(19(25)26)14(20-12)4-6-21-7-9-28-10-8-21/h2-3,5,11,16,20H,4,6-10H2,1H3,(H,23,24)(H,25,26)