3-acetyloxypropyl-[2-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl]-dimethyl-azanium

Systemtic Name: 3-acetyloxypropyl-[2-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl]-dimethyl-azanium Openeye Name: 3-acetoxypropyl-[2-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl]-dimethyl-ammonium CAS Name: 3-acetyloxypropyl-[2-[(E)-2-cyano-3-[4-(diethylamino)phenyl]-1-oxoprop-2-enoxy]ethyl]-dimethylammonium IUPAC Name: 3-acetyloxypropyl-[2-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl]-dimethylazanium Traditional Name: 3-acetoxypropyl-[2-[(E)-2-cyano-3-[4-(diethylamino)phenyl]acryloyl]oxyethyl]-dimethyl-ammonium Formula: C23H34N3O4+ MolecularWeight: 416.53376

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC[N+](C)(C)CCCOC(=O)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC[N+](C)(C)CCCOC(=O)C

InChI

InChI=1S/C23H34N3O4/c1-6-25(7-2)22-11-9-20(10-12-22)17-21(18-24)23(28)30-16-14-26(4,5)13-8-15-29-19(3)27/h9-12,17H,6-8,13-16H2,1-5H3/q+1/b21-17+