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

Systemtic Name: 2-(2-dimethylaminoethyl)-6-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(2-dimethylaminoethyl)-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(2-dimethylaminoethyl)-6-methyl-4-(1-oxido-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(2-dimethylaminoethyl)-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(2-dimethylaminoethyl)-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CCN(C)C)C(=O)O)C2=C[N+](=CC=C2)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CCN(C)C)C(=O)O)C2=C[N+](=CC=C2)[O-])C(=O)O

InChI

InChI=1S/C17H21N3O5/c1-10-13(16(21)22)14(11-5-4-7-20(25)9-11)15(17(23)24)12(18-10)6-8-19(2)3/h4-5,7,9,14,18H,6,8H2,1-3H3,(H,21,22)(H,23,24)