4-[[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxy-phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxy-phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxyphenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-chloro-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxyphenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxy-benzyl]amino]-4-keto-butyrate Formula: C16H23ClN2O5 MolecularWeight: 358.81722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1Cl)CNC(=O)CCC(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1Cl)CNC(=O)CCC(=O)[O-])OC

InChI

InChI=1S/C16H23ClN2O5/c1-19(2)6-7-24-16-12(17)8-11(9-13(16)23-3)10-18-14(20)4-5-15(21)22/h8-9H,4-7,10H2,1-3H3,(H,18,20)(H,21,22)