(5Z)-5-(chloranylmethylidene)-4,4-dimethyl-3-phenethyl-2-phenyl-1,3-oxazol-3-ium chloride

Systemtic Name: (5Z)-5-(chloranylmethylidene)-4,4-dimethyl-3-phenethyl-2-phenyl-1,3-oxazol-3-ium chloride Openeye Name: (5Z)-5-(chloromethylene)-4,4-dimethyl-3-phenethyl-2-phenyl-oxazol-3-ium chloride CAS Name: (5Z)-5-(chloromethylidene)-4,4-dimethyl-3-phenethyl-2-phenyloxazol-3-ium chloride IUPAC Name: (5Z)-5-(chloromethylidene)-4,4-dimethyl-3-phenethyl-2-phenyl-1,3-oxazol-3-ium chloride Traditional Name: (5Z)-5-(chloromethylene)-4,4-dimethyl-3-phenethyl-2-phenyl-2-oxazolin-3-ium chloride Formula: C20H21Cl2NO MolecularWeight: 362.29284

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CCl)OC(=[N+]1CCC2=CC=CC=C2)C3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1(/C(=C/Cl)/OC(=[N+]1CCC2=CC=CC=C2)C3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C20H21ClNO.ClH/c1-20(2)18(15-21)23-19(17-11-7-4-8-12-17)22(20)14-13-16-9-5-3-6-10-16;/h3-12,15H,13-14H2,1-2H3;1H/q+1;/p-1/b18-15-;