4-[[5-chloranyl-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-chloranyl-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-chloro-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[5-chloro-2-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[5-chloro-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[5-chloro-2-(2-morpholin-4-ium-4-ylethoxy)benzyl]amino]-4-keto-butyrate Formula: C17H23ClN2O5 MolecularWeight: 370.82792

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Cl)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Cl)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H23ClN2O5/c18-14-1-2-15(25-10-7-20-5-8-24-9-6-20)13(11-14)12-19-16(21)3-4-17(22)23/h1-2,11H,3-10,12H2,(H,19,21)(H,22,23)