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

Systemtic Name: [2-[[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxopropyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3/c1-23(2)13-15-6-4-3-5-14(15)12-22-19(25)9-10-24-17-8-7-16(21)11-18(17)27-20(24)26/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,25)/p+1