2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-1,3-benzoxazol-6-yl]ethyl-(phenylmethyl)azanium chloride

Systemtic Name: 2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-1,3-benzoxazol-6-yl]ethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[2-[3-(2-ethoxy-2-oxo-ethyl)-2-oxo-1,3-benzoxazol-6-yl]ethyl]ammonium chloride CAS Name: 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1,3-benzoxazol-6-yl]ethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1,3-benzoxazol-6-yl]ethyl]azanium chloride Traditional Name: benzyl-[2-[3-(2-ethoxy-2-keto-ethyl)-2-keto-1,3-benzoxazol-6-yl]ethyl]ammonium chloride Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)CC[NH2+]CC3=CC=CC=C3)OC1=O.[Cl-]

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)CC[NH2+]CC3=CC=CC=C3)OC1=O.[Cl-]

InChI

InChI=1S/C20H22N2O4.ClH/c1-2-25-19(23)14-22-17-9-8-15(12-18(17)26-20(22)24)10-11-21-13-16-6-4-3-5-7-16;/h3-9,12,21H,2,10-11,13-14H2,1H3;1H