1-(phenylsulfonyl)-1,4-diazepan-4-ium

Systemtic Name: 1-(phenylsulfonyl)-1,4-diazepan-4-ium Openeye Name: 1-(benzenesulfonyl)-1,4-diazepan-4-ium CAS Name: 1-(benzenesulfonyl)-1,4-diazepan-4-ium IUPAC Name: 1-(benzenesulfonyl)-1,4-diazepan-4-ium Traditional Name: 1-besyl-1,4-diazepan-4-ium Formula: C11H17N2O2S+ MolecularWeight: 241.32988

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H16N2O2S/c14-16(15,11-5-2-1-3-6-11)13-9-4-7-12-8-10-13/h1-3,5-6,12H,4,7-10H2/p+1