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

Systemtic Name: [4-[(2-benzamidoethanoylamino)methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[(2-benzamidoacetyl)amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[(2-benzamido-1-oxoethyl)amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[(2-benzamidoacetyl)amino]methyl]phenyl]methyl-diethylazanium Traditional Name: diethyl-[4-[(hippuroylamino)methyl]benzyl]ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2/c1-3-24(4-2)16-18-12-10-17(11-13-18)14-22-20(25)15-23-21(26)19-8-6-5-7-9-19/h5-13H,3-4,14-16H2,1-2H3,(H,22,25)(H,23,26)/p+1