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

Systemtic Name: 4-[[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-chloro-5-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]amino]-4-keto-butyrate Formula: C18H25ClN2O5 MolecularWeight: 384.8545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O5/c1-25-15-11-13(12-20-16(22)4-5-17(23)24)10-14(19)18(15)26-9-8-21-6-2-3-7-21/h10-11H,2-9,12H2,1H3,(H,20,22)(H,23,24)