1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium

Systemtic Name: 1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium CAS Name: 1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium Formula: C12H18BrN2O2S+ MolecularWeight: 334.25252

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2Br

Isomeric SMILES

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C12H17BrN2O2S/c1-14-7-4-8-15(10-9-14)18(16,17)12-6-3-2-5-11(12)13/h2-3,5-6H,4,7-10H2,1H3/p+1