2-[(E)-2-cyano-3-[4-[ethyl-(phenylmethyl)amino]phenyl]prop-2-enoyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(E)-2-cyano-3-[4-[ethyl-(phenylmethyl)amino]phenyl]prop-2-enoyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(E)-3-[4-[benzyl(ethyl)amino]phenyl]-2-cyano-prop-2-enoyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[(E)-2-cyano-3-[4-[ethyl-(phenylmethyl)amino]phenyl]-1-oxoprop-2-enoxy]ethyl-trimethylammonium IUPAC Name: 2-[(E)-3-[4-[benzyl(ethyl)amino]phenyl]-2-cyanoprop-2-enoyl]oxyethyl-trimethylazanium Traditional Name: 2-[(E)-3-[4-[benzyl(ethyl)amino]phenyl]-2-cyano-acryloyl]oxyethyl-trimethyl-ammonium Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=C(C#N)C(=O)OCC[N+](C)(C)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)/C=C(\C#N)/C(=O)OCC[N+](C)(C)C

InChI

InChI=1S/C24H30N3O2/c1-5-26(19-21-9-7-6-8-10-21)23-13-11-20(12-14-23)17-22(18-25)24(28)29-16-15-27(2,3)4/h6-14,17H,5,15-16,19H2,1-4H3/q+1/b22-17+