[2-[[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxopropyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzyl]-diethyl-ammonium Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

InChI

InChI=1S/C22H26ClN3O3/c1-3-25(4-2)15-17-8-6-5-7-16(17)14-24-21(27)11-12-26-19-10-9-18(23)13-20(19)29-22(26)28/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,24,27)/p+1