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

Systemtic Name: 5-[2-[(E)-2-(3-chlorophenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[2-[(E)-2-(3-chlorophenyl)vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[2-[(E)-2-(3-chlorophenyl)ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[2-[(E)-2-(3-chlorophenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[2-[(E)-2-(3-chlorophenyl)vinyl]pyridin-1-ium-1-yl]valerate Formula: C18H18ClNO2 MolecularWeight: 315.79402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO2/c19-16-7-5-6-15(14-16)10-11-17-8-1-3-12-20(17)13-4-2-9-18(21)22/h1,3,5-8,10-12,14H,2,4,9,13H2/b11-10+