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

Systemtic Name: 4-[2-[3-chloranyl-4-[3-(dimethylazaniumyl)propoxy]-5-methoxy-phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-methoxy-phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-methoxyphenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[3-chloro-4-[3-(dimethylazaniumyl)propoxy]-5-methoxyphenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-methoxy-phenyl]ethylamino]-4-keto-butyrate Formula: C18H27ClN2O5 MolecularWeight: 386.87038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1Cl)CCNC(=O)CCC(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1Cl)CCNC(=O)CCC(=O)[O-])OC

InChI

InChI=1S/C18H27ClN2O5/c1-21(2)9-4-10-26-18-14(19)11-13(12-15(18)25-3)7-8-20-16(22)5-6-17(23)24/h11-12H,4-10H2,1-3H3,(H,20,22)(H,23,24)