6-chloranyl-3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C18H18Cl2N3O2+ MolecularWeight: 379.26042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H17Cl2N3O2/c19-13-2-1-3-15(10-13)22-8-6-21(7-9-22)12-23-16-5-4-14(20)11-17(16)25-18(23)24/h1-5,10-11H,6-9,12H2/p+1