4-[2-[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[3-chloro-5-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylamino]-4-keto-butyrate Formula: C19H27ClN2O5 MolecularWeight: 398.88108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCNC(=O)CCC(=O)[O-])Cl)OCC[NH+]2CCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)CCNC(=O)CCC(=O)[O-])Cl)OCC[NH+]2CCCC2

InChI

InChI=1S/C19H27ClN2O5/c1-26-16-13-14(6-7-21-17(23)4-5-18(24)25)12-15(20)19(16)27-11-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H,21,23)(H,24,25)