2-[(Z)-2-cyano-3-[5-(4-ethoxycarbonylphenyl)furan-2-yl]prop-2-enoyl]oxyethyl-dimethyl-azanium

Systemtic Name: 2-[(Z)-2-cyano-3-[5-(4-ethoxycarbonylphenyl)furan-2-yl]prop-2-enoyl]oxyethyl-dimethyl-azanium Openeye Name: 2-[(Z)-2-cyano-3-[5-(4-ethoxycarbonylphenyl)-2-furyl]prop-2-enoyl]oxyethyl-dimethyl-ammonium CAS Name: 2-[(Z)-2-cyano-3-[5-(4-ethoxycarbonylphenyl)-2-furanyl]-1-oxoprop-2-enoxy]ethyl-dimethylammonium IUPAC Name: 2-[(Z)-2-cyano-3-[5-(4-ethoxycarbonylphenyl)furan-2-yl]prop-2-enoyl]oxyethyl-dimethylazanium Traditional Name: 2-[(Z)-3-[5-(4-carbethoxyphenyl)-2-furyl]-2-cyano-acryloyl]oxyethyl-dimethyl-ammonium Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)OCC[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(/C#N)\C(=O)OCC[NH+](C)C

InChI

InChI=1S/C21H22N2O5/c1-4-26-20(24)16-7-5-15(6-8-16)19-10-9-18(28-19)13-17(14-22)21(25)27-12-11-23(2)3/h5-10,13H,4,11-12H2,1-3H3/p+1/b17-13-