2-[(diphenylmethyl)-ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]butanoate

Systemtic Name: 2-[(diphenylmethyl)-ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]butanoate Openeye Name: 2-[benzhydryl-ethyl-(2-oxido-2-oxo-ethyl)ammonio]butanoate CAS Name: 2-[(diphenylmethyl)-ethyl-(2-oxido-2-oxoethyl)ammonio]butanoate IUPAC Name: 2-[benzhydryl-ethyl-(2-oxido-2-oxoethyl)azaniumyl]butanoate Traditional Name: 2-[benzhydryl-ethyl-(2-keto-2-oxido-ethyl)ammonio]butyrate Formula: C21H24NO4- MolecularWeight: 354.41956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[N+](CC)(CC(=O)[O-])C(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)[O-])[N+](CC)(CC(=O)[O-])C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-3-18(21(25)26)22(4-2,15-19(23)24)20(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18,20H,3-4,15H2,1-2H3,(H-,23,24,25,26)/p-1