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

Systemtic Name: 3-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxypropyl-(2-hydroxyethyl)-dimethyl-azanium Openeye Name: 3-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxypropyl-(2-hydroxyethyl)-dimethyl-ammonium CAS Name: 3-[(E)-2-cyano-3-[4-(diethylamino)phenyl]-1-oxoprop-2-enoxy]propyl-(2-hydroxyethyl)-dimethylammonium IUPAC Name: 3-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxypropyl-(2-hydroxyethyl)-dimethylazanium Traditional Name: 3-[(E)-2-cyano-3-[4-(diethylamino)phenyl]acryloyl]oxypropyl-(2-hydroxyethyl)-dimethyl-ammonium Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OCCC[N+](C)(C)CCO

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCCC[N+](C)(C)CCO

InChI

InChI=1S/C21H32N3O3/c1-5-23(6-2)20-10-8-18(9-11-20)16-19(17-22)21(26)27-15-7-12-24(3,4)13-14-25/h8-11,16,25H,5-7,12-15H2,1-4H3/q+1/b19-16+