2-[(E)-2-cyano-3-[4-(1-phenylpropylamino)phenyl]prop-2-enoyl]oxyethyl-trimethyl-azanium ethanoate

Systemtic Name: 2-[(E)-2-cyano-3-[4-(1-phenylpropylamino)phenyl]prop-2-enoyl]oxyethyl-trimethyl-azanium ethanoate Openeye Name: 2-[(E)-2-cyano-3-[4-(1-phenylpropylamino)phenyl]prop-2-enoyl]oxyethyl-trimethyl-ammonium acetate CAS Name: 2-[(E)-2-cyano-1-oxo-3-[4-(1-phenylpropylamino)phenyl]prop-2-enoxy]ethyl-trimethylammonium acetate IUPAC Name: 2-[(E)-2-cyano-3-[4-(1-phenylpropylamino)phenyl]prop-2-enoyl]oxyethyl-trimethylazanium acetate Traditional Name: 2-[(E)-2-cyano-3-[4-(1-phenylpropylamino)phenyl]acryloyl]oxyethyl-trimethyl-ammonium acetate Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC2=CC=C(C=C2)C=C(C#N)C(=O)OCC[N+](C)(C)C.CC(=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)NC2=CC=C(C=C2)/C=C(\C#N)/C(=O)OCC[N+](C)(C)C.CC(=O)[O-]

InChI

InChI=1S/C24H29N3O2.C2H4O2/c1-5-23(20-9-7-6-8-10-20)26-22-13-11-19(12-14-22)17-21(18-25)24(28)29-16-15-27(2,3)4;1-2(3)4/h6-14,17,23H,5,15-16H2,1-4H3;1H3,(H,3,4)