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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=CC(=C1)OC)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC(=C1)OC)CNC(=O)CCC(=O)[O-]

InChI

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