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

Systemtic Name: 4-[[2-[2-(dimethylazaniumyl)ethoxy]-3-methoxy-phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[2-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[2-[2-(dimethylammonio)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[2-[2-(dimethylazaniumyl)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[2-[2-(dimethylammonio)ethoxy]-3-methoxy-benzyl]amino]-4-keto-butyrate Formula: C16H24N2O5 MolecularWeight: 324.37216

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=CC=C1OC)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCOC1=C(C=CC=C1OC)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H24N2O5/c1-18(2)9-10-23-16-12(5-4-6-13(16)22-3)11-17-14(19)7-8-15(20)21/h4-6H,7-11H2,1-3H3,(H,17,19)(H,20,21)