3-[4-[(Z)-2-(3-methylphenyl)ethenyl]pyridin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-[(Z)-2-(3-methylphenyl)ethenyl]pyridin-1-ium-1-yl]propanoate Openeye Name: 3-[4-[(Z)-2-(m-tolyl)vinyl]pyridin-1-ium-1-yl]propanoate CAS Name: 3-[4-[(Z)-2-(3-methylphenyl)ethenyl]-1-pyridin-1-iumyl]propanoate IUPAC Name: 3-[4-[(Z)-2-(3-methylphenyl)ethenyl]pyridin-1-ium-1-yl]propanoate Traditional Name: 3-[4-[(Z)-2-(m-tolyl)vinyl]pyridin-1-ium-1-yl]propionate Formula: C17H17NO2 MolecularWeight: 267.32238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC2=CC=[N+](C=C2)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)/C=C\C2=CC=[N+](C=C2)CCC(=O)[O-]

InChI

InChI=1S/C17H17NO2/c1-14-3-2-4-16(13-14)6-5-15-7-10-18(11-8-15)12-9-17(19)20/h2-8,10-11,13H,9,12H2,1H3/b6-5-