4-[2-[5-chloranyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[5-chloranyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[5-chloro-2-[3-(dimethylazaniumyl)propoxy]phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]ethylamino]-4-keto-butyrate Formula: C17H25ClN2O4 MolecularWeight: 356.8444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O4/c1-20(2)10-3-11-24-15-5-4-14(18)12-13(15)8-9-19-16(21)6-7-17(22)23/h4-5,12H,3,6-11H2,1-2H3,(H,19,21)(H,22,23)