8-[4-[(E)-3-oxidanylidenebut-1-enyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-[4-[(E)-3-oxidanylidenebut-1-enyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-[4-[(E)-3-oxobut-1-enyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-[4-[(E)-3-oxobut-1-enyl]phenoxy]octyl ester IUPAC Name: 8-[4-[(E)-3-oxobut-1-enyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-[4-[(E)-3-ketobut-1-enyl]phenoxy]octyl ester Formula: C25H32NO4+ MolecularWeight: 410.52588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC=C(C=C1)OCCCCCCCCOC(=O)C2=C[N+](=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32NO4/c1-21(27)11-12-22-13-15-24(16-14-22)29-18-7-5-3-4-6-8-19-30-25(28)23-10-9-17-26(2)20-23/h9-17,20H,3-8,18-19H2,1-2H3/q+1/b12-11+