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

Systemtic Name: 2-[(E)-2-cyano-3-[4-[ethyl-(phenylmethyl)amino]-2-methyl-phenyl]prop-2-enoyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(E)-3-[4-[benzyl(ethyl)amino]-2-methyl-phenyl]-2-cyano-prop-2-enoyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[(E)-2-cyano-3-[4-[ethyl-(phenylmethyl)amino]-2-methylphenyl]-1-oxoprop-2-enoxy]ethyl-trimethylammonium IUPAC Name: 2-[(E)-3-[4-[benzyl(ethyl)amino]-2-methylphenyl]-2-cyanoprop-2-enoyl]oxyethyl-trimethylazanium Traditional Name: 2-[(E)-3-[4-[benzyl(ethyl)amino]-2-methyl-phenyl]-2-cyano-acryloyl]oxyethyl-trimethyl-ammonium Formula: C25H32N3O2+ MolecularWeight: 406.54048

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32N3O2/c1-6-27(19-21-10-8-7-9-11-21)24-13-12-22(20(2)16-24)17-23(18-26)25(29)30-15-14-28(3,4)5/h7-13,16-17H,6,14-15,19H2,1-5H3/q+1/b23-17+