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

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Formula: C19H22ClN2O4S+ MolecularWeight: 409.90698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4S/c20-17-10-15(19-16(11-17)13-25-14-26-19)12-21-6-8-22(9-7-21)27(23,24)18-4-2-1-3-5-18/h1-5,10-11H,6-9,12-14H2/p+1