N-[2,4-bis(3-chlorophenyl)-1-cyclopropyl-6-methyl-piperazin-1-ium-1-yl]hexane-1-sulfonamide

Systemtic Name: N-[2,4-bis(3-chlorophenyl)-1-cyclopropyl-6-methyl-piperazin-1-ium-1-yl]hexane-1-sulfonamide Openeye Name: N-[2,4-bis(3-chlorophenyl)-1-cyclopropyl-6-methyl-piperazin-1-ium-1-yl]hexane-1-sulfonamide CAS Name: N-[2,4-bis(3-chlorophenyl)-1-cyclopropyl-6-methyl-1-piperazin-1-iumyl]-1-hexanesulfonamide IUPAC Name: N-[2,4-bis(3-chlorophenyl)-1-cyclopropyl-6-methylpiperazin-1-ium-1-yl]hexane-1-sulfonamide Traditional Name: N-[2,4-bis(3-chlorophenyl)-1-cyclopropyl-6-methyl-piperazin-1-ium-1-yl]hexane-1-sulfonamide Formula: C26H36Cl2N3O2S+ MolecularWeight: 525.55394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)N[N+]1(C(CN(CC1C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)Cl)C)C4CC4

Isomeric SMILES

CCCCCCS(=O)(=O)N[N+]1(C(CN(CC1C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)Cl)C)C4CC4

InChI

InChI=1S/C26H36Cl2N3O2S/c1-3-4-5-6-15-34(32,33)29-31(25-13-14-25)20(2)18-30(24-12-8-11-23(28)17-24)19-26(31)21-9-7-10-22(27)16-21/h7-12,16-17,20,25-26,29H,3-6,13-15,18-19H2,1-2H3/q+1