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

Systemtic Name: 5-[4-[(Z)-2-(4-methoxycarbonylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Openeye Name: 5-[4-[(Z)-2-(4-methoxycarbonylphenyl)vinyl]pyridin-1-ium-1-yl]pentanoic acid CAS Name: 5-[4-[(Z)-2-(4-methoxycarbonylphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoic acid IUPAC Name: 5-[4-[(Z)-2-(4-methoxycarbonylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Traditional Name: 5-[4-[(Z)-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=[N+](C=C2)CCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4/c1-25-20(24)18-9-7-16(8-10-18)5-6-17-11-14-21(15-12-17)13-3-2-4-19(22)23/h5-12,14-15H,2-4,13H2,1H3/p+1/b6-5-