4-[2-[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxy-phenyl]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxy-phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxy-phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxyphenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxyphenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxy-phenyl]ethylamino]-4-keto-butyrate Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CCNC(=O)CCC(=O)[O-])OCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)CCNC(=O)CCC(=O)[O-])OCC[NH+](C)C

InChI

InChI=1S/C18H28N2O5/c1-4-24-16-13-14(5-6-15(16)25-12-11-20(2)3)9-10-19-17(21)7-8-18(22)23/h5-6,13H,4,7-12H2,1-3H3,(H,19,21)(H,22,23)