2-[4-(2-benzamidoethanoylamino)phenyl]carbonyloxyethyl-diethyl-azanium

Systemtic Name: 2-[4-(2-benzamidoethanoylamino)phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[4-[(2-benzamidoacetyl)amino]benzoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[4-[(2-benzamido-1-oxoethyl)amino]phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[4-[(2-benzamidoacetyl)amino]benzoyl]oxyethyl-diethylazanium Traditional Name: diethyl-[2-[4-(hippuroylamino)benzoyl]oxyethyl]ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4/c1-3-25(4-2)14-15-29-22(28)18-10-12-19(13-11-18)24-20(26)16-23-21(27)17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,23,27)(H,24,26)/p+1