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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=CC=C1OC)CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC=C1OC)CCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H28N2O5/c1-20(2)12-5-13-25-18-14(6-4-7-15(18)24-3)10-11-19-16(21)8-9-17(22)23/h4,6-7H,5,8-13H2,1-3H3,(H,19,21)(H,22,23)