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

Systemtic Name: 5-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Openeye Name: 5-[2-[(E)-2-(4-tert-butylphenyl)vinyl]pyridin-1-ium-1-yl]pentanoic acid CAS Name: 5-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoic acid IUPAC Name: 5-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Traditional Name: 5-[2-[(E)-2-(4-tert-butylphenyl)vinyl]pyridin-1-ium-1-yl]valeric acid Formula: C22H28NO2+ MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO2/c1-22(2,3)19-13-10-18(11-14-19)12-15-20-8-4-6-16-23(20)17-7-5-9-21(24)25/h4,6,8,10-16H,5,7,9,17H2,1-3H3/p+1/b15-12+