diethyl-[[4-[[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzyl]ammonium Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C22H27N3O3/c1-3-24(4-2)16-18-11-9-17(10-12-18)15-23-21(26)13-14-25-19-7-5-6-8-20(19)28-22(25)27/h5-12H,3-4,13-16H2,1-2H3,(H,23,26)/p+1