1-[(4-bromophenyl)methyl]-4-propylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-bromophenyl)methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[(4-bromophenyl)methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-(4-bromobenzyl)-4-propylsulfonyl-piperazin-1-ium Formula: C14H22BrN2O2S+ MolecularWeight: 362.30568

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H21BrN2O2S/c1-2-11-20(18,19)17-9-7-16(8-10-17)12-13-3-5-14(15)6-4-13/h3-6H,2,7-12H2,1H3/p+1