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

Systemtic Name: 2-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-6-pyrrolidin-1-yl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-methyl-4-(1-oxidopyridin-1-ium-3-yl)-6-pyrrolidin-1-yl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-methyl-4-(1-oxido-3-pyridin-1-iumyl)-6-(1-pyrrolidinyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-methyl-4-(1-oxidopyridin-1-ium-3-yl)-6-pyrrolidin-1-yl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-methyl-4-(1-oxidopyridin-1-ium-3-yl)-6-pyrrolidino-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N2CCCC2)C(=O)O)C3=C[N+](=CC=C3)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)N2CCCC2)C(=O)O)C3=C[N+](=CC=C3)[O-])C(=O)O

InChI

InChI=1S/C17H19N3O5/c1-10-12(16(21)22)13(11-5-4-8-20(25)9-11)14(17(23)24)15(18-10)19-6-2-3-7-19/h4-5,8-9,13,18H,2-3,6-7H2,1H3,(H,21,22)(H,23,24)