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

Systemtic Name: 4-[[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxy-phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-[2-(dimethylammonio)ethoxy]-3-ethoxy-phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[4-[2-(dimethylammonio)ethoxy]-3-ethoxyphenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxyphenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[4-[2-(dimethylammonio)ethoxy]-3-ethoxy-benzyl]amino]-4-keto-butyrate Formula: C17H26N2O5 MolecularWeight: 338.39874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5/c1-4-23-15-11-13(12-18-16(20)7-8-17(21)22)5-6-14(15)24-10-9-19(2)3/h5-6,11H,4,7-10,12H2,1-3H3,(H,18,20)(H,21,22)