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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(=O)CCC(=O)[O-])Cl)OCC[NH+]2CCCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC(=O)CCC(=O)[O-])Cl)OCC[NH+]2CCCC2

InChI

InChI=1S/C19H27ClN2O5/c1-2-26-16-12-14(13-21-17(23)5-6-18(24)25)11-15(20)19(16)27-10-9-22-7-3-4-8-22/h11-12H,2-10,13H2,1H3,(H,21,23)(H,24,25)