2-[2-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[2-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methyl-ammonium CAS Name: 2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxoethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[2-(6-chloro-2-keto-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methyl-ammonium Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)CN1C2=C(C=C(C=C2)Cl)OC1=O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCNC(=O)CN1C2=C(C=C(C=C2)Cl)OC1=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20ClN3O3/c1-22(12-14-5-3-2-4-6-14)10-9-21-18(24)13-23-16-8-7-15(20)11-17(16)26-19(23)25/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)/p+1