1-[(3-bromophenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(3-bromophenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(3-bromophenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(3-bromobenzyl)piperazin-4-ium Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H21BrN2O2S/c19-18-8-4-7-17(13-18)14-20-9-11-21(12-10-20)24(22,23)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2/p+1