1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(3-chlorophenyl)piperazin-1-ium

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(3-chlorophenyl)piperazin-1-ium Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(3-chlorophenyl)piperazin-1-ium CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(3-chlorophenyl)piperazin-1-ium IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(3-chlorophenyl)piperazin-1-ium Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(3-chlorophenyl)piperazin-1-ium Formula: C19H21Cl2N2O2+ MolecularWeight: 380.28824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)Cl)COCO3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)Cl)COCO3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H20Cl2N2O2/c20-16-2-1-3-18(10-16)23-6-4-22(5-7-23)11-14-8-17(21)9-15-12-24-13-25-19(14)15/h1-3,8-10H,4-7,11-13H2/p+1