[(2Z)-2-[2-(4-chlorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]butyl]-phenethyl-azanium

Systemtic Name: [(2Z)-2-[2-(4-chlorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]butyl]-phenethyl-azanium Openeye Name: [(2Z)-2-[2-(4-chlorophenyl)-5-oxo-oxazol-4-ylidene]butyl]-phenethyl-ammonium CAS Name: [(2Z)-2-[2-(4-chlorophenyl)-5-oxo-4-oxazolylidene]butyl]-phenethylammonium IUPAC Name: [(2Z)-2-[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]butyl]-phenethylazanium Traditional Name: [(2Z)-2-[2-(4-chlorophenyl)-5-keto-2-oxazolin-4-ylidene]butyl]-phenethyl-ammonium Formula: C21H22ClN2O2+ MolecularWeight: 369.86458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)OC(=N1)C2=CC=C(C=C2)Cl)C[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

CC/C(=C/1\C(=O)OC(=N1)C2=CC=C(C=C2)Cl)/C[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O2/c1-2-16(14-23-13-12-15-6-4-3-5-7-15)19-21(25)26-20(24-19)17-8-10-18(22)11-9-17/h3-11,23H,2,12-14H2,1H3/p+1/b19-16-