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

Systemtic Name: 4-oxidanylidene-4-[[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]butanoate Openeye Name: 4-oxo-4-[[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]butanoate CAS Name: 4-oxo-4-[[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methylamino]butanoate IUPAC Name: 4-oxo-4-[[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylamino]butanoate Traditional Name: 4-keto-4-[[2-(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=C2CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC=C2CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H24N2O4/c20-16(7-8-17(21)22)18-13-14-5-1-2-6-15(14)23-12-11-19-9-3-4-10-19/h1-2,5-6H,3-4,7-13H2,(H,18,20)(H,21,22)