5-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid

Systemtic Name: 5-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Openeye Name: 5-[2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]pentanoic acid CAS Name: 5-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoic acid IUPAC Name: 5-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoic acid Traditional Name: 5-[2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]valeric acid Formula: C20H24NO4+ MolecularWeight: 342.40886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=CC=CC=[N+]2CCCCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=CC=CC=[N+]2CCCCC(=O)O)OC

InChI

InChI=1S/C20H23NO4/c1-24-18-12-10-16(15-19(18)25-2)9-11-17-7-3-5-13-21(17)14-6-4-8-20(22)23/h3,5,7,9-13,15H,4,6,8,14H2,1-2H3/p+1/b11-9+