3-[4-[(Z)-2-(4-tert-butylphenyl)ethenyl]pyridin-1-ium-1-yl]propanoic acid

Systemtic Name: 3-[4-[(Z)-2-(4-tert-butylphenyl)ethenyl]pyridin-1-ium-1-yl]propanoic acid Openeye Name: 3-[4-[(Z)-2-(4-tert-butylphenyl)vinyl]pyridin-1-ium-1-yl]propanoic acid CAS Name: 3-[4-[(Z)-2-(4-tert-butylphenyl)ethenyl]-1-pyridin-1-iumyl]propanoic acid IUPAC Name: 3-[4-[(Z)-2-(4-tert-butylphenyl)ethenyl]pyridin-1-ium-1-yl]propanoic acid Traditional Name: 3-[4-[(Z)-2-(4-tert-butylphenyl)vinyl]pyridin-1-ium-1-yl]propionic acid Formula: C20H24NO2+ MolecularWeight: 310.41006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO2/c1-20(2,3)18-8-6-16(7-9-18)4-5-17-10-13-21(14-11-17)15-12-19(22)23/h4-11,13-14H,12,15H2,1-3H3/p+1/b5-4-