5-[4-[(Z)-2-(3-ethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate

Systemtic Name: 5-[4-[(Z)-2-(3-ethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[4-[(Z)-2-(3-ethoxyphenyl)vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[4-[(Z)-2-(3-ethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[4-[(Z)-2-(3-ethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[4-[(Z)-2-m-phenetylvinyl]pyridin-1-ium-1-yl]valerate Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C=CC2=CC=[N+](C=C2)CCCCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1)/C=C\C2=CC=[N+](C=C2)CCCCC(=O)[O-]

InChI

InChI=1S/C20H23NO3/c1-2-24-19-7-5-6-18(16-19)10-9-17-11-14-21(15-12-17)13-4-3-8-20(22)23/h5-7,9-12,14-16H,2-4,8,13H2,1H3/b10-9-