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

Systemtic Name: 4-[2-[2-[3-(dimethylazaniumyl)propoxy]-4-methoxy-phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[2-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[2-[3-(dimethylammonio)propoxy]-4-methoxyphenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[2-[3-(dimethylazaniumyl)propoxy]-4-methoxyphenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[2-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]ethylamino]-4-keto-butyrate Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5/c1-20(2)11-4-12-25-16-13-15(24-3)6-5-14(16)9-10-19-17(21)7-8-18(22)23/h5-6,13H,4,7-12H2,1-3H3,(H,19,21)(H,22,23)