8-[4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 8-[4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 8-[4-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]octyl ester iodide IUPAC Name: 8-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-[4-[(E)-3-keto-3-phenyl-prop-1-enyl]phenoxy]octyl ester iodide Formula: C30H34INO4 MolecularWeight: 599.49973

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)C=CC(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

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

InChI

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