5-[4-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate

Systemtic Name: 5-[4-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[4-[(Z)-2-(4-isopropylphenyl)vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[4-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[4-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[4-[(Z)-2-p-cumenylvinyl]pyridin-1-ium-1-yl]valerate Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO2/c1-17(2)20-10-8-18(9-11-20)6-7-19-12-15-22(16-13-19)14-4-3-5-21(23)24/h6-13,15-17H,3-5,14H2,1-2H3/b7-6-