1-[(4-bromophenyl)methyl]-4-methylsulfonyl-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-methylsulfonyl-1,4-diazepan-1-ium Openeye Name: 1-[(4-bromophenyl)methyl]-4-methylsulfonyl-1,4-diazepan-1-ium CAS Name: 1-[(4-bromophenyl)methyl]-4-methylsulfonyl-1,4-diazepan-1-ium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-methylsulfonyl-1,4-diazepan-1-ium Traditional Name: 1-(4-bromobenzyl)-4-mesyl-1,4-diazepan-1-ium Formula: C13H20BrN2O2S+ MolecularWeight: 348.2791

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC[NH+](CC1)CC2=CC=C(C=C2)Br

Isomeric SMILES

CS(=O)(=O)N1CCC[NH+](CC1)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H19BrN2O2S/c1-19(17,18)16-8-2-7-15(9-10-16)11-12-3-5-13(14)6-4-12/h3-6H,2,7-11H2,1H3/p+1