5-[2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid

Systemtic Name: 5-[2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Openeye Name: 5-[2-[(E)-2-(4-isopropylphenyl)vinyl]pyridin-1-ium-1-yl]pentanoic acid CAS Name: 5-[2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoic acid IUPAC Name: 5-[2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Traditional Name: 5-[2-[(E)-2-p-cumenylvinyl]pyridin-1-ium-1-yl]valeric acid Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO2/c1-17(2)19-12-9-18(10-13-19)11-14-20-7-3-5-15-22(20)16-6-4-8-21(23)24/h3,5,7,9-15,17H,4,6,8,16H2,1-2H3/p+1/b14-11+