4-[[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxy-phenyl]methylamino]-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(=O)CCC(=O)[O-])OCCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC(=O)CCC(=O)[O-])OCCC[NH+](C)C

InChI

InChI=1S/C18H28N2O5/c1-4-24-16-12-14(13-19-17(21)8-9-18(22)23)6-7-15(16)25-11-5-10-20(2)3/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,19,21)(H,22,23)