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

Systemtic Name: 4-[[4-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[4-[3-(dimethylammonio)propoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[4-[3-(dimethylazaniumyl)propoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[4-[3-(dimethylammonio)propoxy]-3-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=C(C=C1)CNC(=O)CCC(=O)[O-])OC

Isomeric SMILES

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

InChI

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