3-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-1,3-benzoxazol-2-one Formula: C26H25ClN3O3+ MolecularWeight: 462.948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)CN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)CN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C26H24ClN3O3/c27-21-12-10-20(11-13-21)25(19-6-2-1-3-7-19)29-16-14-28(15-17-29)24(31)18-30-22-8-4-5-9-23(22)33-26(30)32/h1-13,25H,14-18H2/p+1