2-oxidanyl-2-oxidanylidene-ethanoate; 2-phenyl-N-(4-pyrrolidin-1-ium-1-ylbutyl)aniline

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 2-phenyl-N-(4-pyrrolidin-1-ium-1-ylbutyl)aniline Openeye Name: 2-hydroxy-2-oxo-acetate; 2-phenyl-N-(4-pyrrolidin-1-ium-1-ylbutyl)aniline CAS Name: 2-hydroxy-2-oxoacetate; 2-phenyl-N-[4-(1-pyrrolidin-1-iumyl)butyl]aniline IUPAC Name: 2-hydroxy-2-oxoacetate; 2-phenyl-N-(4-pyrrolidin-1-ium-1-ylbutyl)aniline Traditional Name: (2-phenylphenyl)-(4-pyrrolidin-1-ium-1-ylbutyl)amine binoxalate Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCCNC2=CC=CC=C2C3=CC=CC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC[NH+](C1)CCCCNC2=CC=CC=C2C3=CC=CC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H26N2.C2H2O4/c1-2-10-18(11-3-1)19-12-4-5-13-20(19)21-14-6-7-15-22-16-8-9-17-22;3-1(4)2(5)6/h1-5,10-13,21H,6-9,14-17H2;(H,3,4)(H,5,6)