5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid

Systemtic Name: 5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Openeye Name: 5-[2-[(E)-2-(3-methoxyphenyl)vinyl]pyridin-1-ium-1-yl]pentanoic acid CAS Name: 5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoic acid IUPAC Name: 5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Traditional Name: 5-[2-[(E)-2-(3-methoxyphenyl)vinyl]pyridin-1-ium-1-yl]valeric acid Formula: C19H22NO3+ MolecularWeight: 312.38288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC2=CC=CC=[N+]2CCCCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C2=CC=CC=[N+]2CCCCC(=O)O

InChI

InChI=1S/C19H21NO3/c1-23-18-9-6-7-16(15-18)11-12-17-8-2-4-13-20(17)14-5-3-10-19(21)22/h2,4,6-9,11-13,15H,3,5,10,14H2,1H3/p+1/b12-11+