5-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid

Systemtic Name: 5-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Openeye Name: 5-[2-[(E)-2-(4-methoxycarbonylphenyl)vinyl]pyridin-1-ium-1-yl]pentanoic acid CAS Name: 5-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoic acid IUPAC Name: 5-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Traditional Name: 5-[2-[(E)-2-(4-carbomethoxyphenyl)vinyl]pyridin-1-ium-1-yl]valeric acid Formula: C20H22NO4+ MolecularWeight: 340.39298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=CC=CC=[N+]2CCCCC(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2CCCCC(=O)O

InChI

InChI=1S/C20H21NO4/c1-25-20(24)17-11-8-16(9-12-17)10-13-18-6-2-4-14-21(18)15-5-3-7-19(22)23/h2,4,6,8-14H,3,5,7,15H2,1H3/p+1/b13-10+