5-[2-[(E)-2-(3-methylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate

Systemtic Name: 5-[2-[(E)-2-(3-methylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[2-[(E)-2-(m-tolyl)vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[2-[(E)-2-(3-methylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[2-[(E)-2-(m-tolyl)vinyl]pyridin-1-ium-1-yl]valerate Formula: C19H21NO2 MolecularWeight: 295.37554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC2=CC=CC=[N+]2CCCCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C2=CC=CC=[N+]2CCCCC(=O)[O-]

InChI

InChI=1S/C19H21NO2/c1-16-7-6-8-17(15-16)11-12-18-9-2-4-13-20(18)14-5-3-10-19(21)22/h2,4,6-9,11-13,15H,3,5,10,14H2,1H3/b12-11+