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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-(3-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(=CC=C2)Br

Isomeric SMILES

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

InChI

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