3-[3-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]propanoic acid

Systemtic Name: 3-[3-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]propanoic acid Openeye Name: 3-[3-methyl-4-[(E)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]propanoic acid CAS Name: 3-[3-methyl-4-[(E)-2-(1-naphthalenyl)ethenyl]-1-pyridin-1-iumyl]propanoic acid IUPAC Name: 3-[3-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]propanoic acid Traditional Name: 3-[3-methyl-4-[(E)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]propionic acid Formula: C21H20NO2+ MolecularWeight: 318.389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1)CCC(=O)O)C=CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C[N+](=C1)CCC(=O)O)/C=C/C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H19NO2/c1-16-15-22(14-12-21(23)24)13-11-17(16)9-10-19-7-4-6-18-5-2-3-8-20(18)19/h2-11,13,15H,12,14H2,1H3/p+1/b10-9+