1-[(2-bromophenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(2-bromophenyl)methyl]piperazin-4-ium CAS Name: 1-[(2-bromophenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(2-bromophenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(2-bromobenzyl)piperazin-4-ium Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Br)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)S(=O)(=O)CC3=CC=CC=C3

InChI

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