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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

InChI

InChI=1S/C20H22ClN3O3/c1-23(2)13-16(14-6-4-3-5-7-14)22-19(25)10-11-24-17-9-8-15(21)12-18(17)27-20(24)26/h3-9,12,16H,10-11,13H2,1-2H3,(H,22,25)/p+1/t16-/m1/s1