5-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(E)-2-(1-butylpyridin-1-ium-4-yl)vinyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[(E)-2-(1-butyl-4-pyridin-1-iumyl)ethenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(E)-2-(1-butylpyridin-1-ium-4-yl)vinyl]isophthalic acid Formula: C19H20NO4+ MolecularWeight: 326.3664

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C=CC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C19H19NO4/c1-2-3-8-20-9-6-14(7-10-20)4-5-15-11-16(18(21)22)13-17(12-15)19(23)24/h4-7,9-13H,2-3,8H2,1H3,(H-,21,22,23,24)/p+1/b5-4+