1-butylsulfonyl-4-[(3-chlorophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-butylsulfonyl-4-[(3-chlorophenyl)methyl]piperazin-4-ium Openeye Name: 1-butylsulfonyl-4-[(3-chlorophenyl)methyl]piperazin-4-ium CAS Name: 1-butylsulfonyl-4-[(3-chlorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-butylsulfonyl-4-[(3-chlorophenyl)methyl]piperazin-4-ium Traditional Name: 1-butylsulfonyl-4-(3-chlorobenzyl)piperazin-4-ium Formula: C15H24ClN2O2S+ MolecularWeight: 331.88126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H23ClN2O2S/c1-2-3-11-21(19,20)18-9-7-17(8-10-18)13-14-5-4-6-15(16)12-14/h4-6,12H,2-3,7-11,13H2,1H3/p+1