4-oxidanyl-4-oxidanylidene-butanoate; 2-phenyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 4-oxidanyl-4-oxidanylidene-butanoate; 2-phenyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 4-hydroxy-4-oxo-butanoate; 2-phenyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 4-hydroxy-4-oxobutanoate; 2-phenyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 4-hydroxy-4-oxobutanoate; 2-phenyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 4-hydroxy-4-keto-butyrate; 2-phenyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)CC2=CC=CC=C2.C(CC(=O)[O-])C(=O)O

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)CC2=CC=CC=C2.C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C15H22N2O.C4H6O4/c18-15(13-14-7-2-1-3-8-14)16-9-6-12-17-10-4-5-11-17;5-3(6)1-2-4(7)8/h1-3,7-8H,4-6,9-13H2,(H,16,18);1-2H2,(H,5,6)(H,7,8)