1-(phenylmethyl)sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-(phenylmethyl)sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-benzylsulfonyl-1,4-diazepan-4-ium CAS Name: 1-(phenylmethyl)sulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-benzylsulfonyl-1,4-diazepan-4-ium Traditional Name: 1-benzylsulfonyl-1,4-diazepan-4-ium Formula: C12H19N2O2S+ MolecularWeight: 255.35646

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H18N2O2S/c15-17(16,11-12-5-2-1-3-6-12)14-9-4-7-13-8-10-14/h1-3,5-6,13H,4,7-11H2/p+1