1-phenethylsulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-phenethylsulfonyl-1,4-diazepan-4-ium Openeye Name: 1-phenethylsulfonyl-1,4-diazepan-4-ium CAS Name: 1-phenethylsulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-phenethylsulfonyl-1,4-diazepan-4-ium Traditional Name: 1-phenethylsulfonyl-1,4-diazepan-4-ium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)CCC2=CC=CC=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C13H20N2O2S/c16-18(17,15-10-4-8-14-9-11-15)12-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2/p+1