8-[2-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-[2-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-[2-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-[2-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]octyl ester IUPAC Name: 8-[2-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-[2-[(E)-3-keto-3-phenyl-prop-1-enyl]phenoxy]octyl ester Formula: C30H34NO4+ MolecularWeight: 472.59526

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2C=CC(=O)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2/C=C/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H34NO4/c1-31-21-13-17-27(24-31)30(33)35-23-12-5-3-2-4-11-22-34-29-18-10-9-16-26(29)19-20-28(32)25-14-7-6-8-15-25/h6-10,13-21,24H,2-5,11-12,22-23H2,1H3/q+1/b20-19+