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

Systemtic Name: 4-oxidanylidene-4-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]butanoate Openeye Name: 4-oxo-4-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]butanoate CAS Name: 4-oxo-4-[[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methylamino]butanoate IUPAC Name: 4-oxo-4-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]butanoate Traditional Name: 4-keto-4-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]amino]butyrate Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC(=C2)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC(=C2)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H24N2O4/c20-16(6-7-17(21)22)18-13-14-4-3-5-15(12-14)23-11-10-19-8-1-2-9-19/h3-5,12H,1-2,6-11,13H2,(H,18,20)(H,21,22)