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1-(phenylsulfonyl)azepan-1-ium-3-ol

1-(phenylsulfonyl)azepan-1-ium-3-ol

Systemtic Name:1-(phenylsulfonyl)azepan-1-ium-3-ol
Openeye Name:1-(benzenesulfonyl)azepan-1-ium-3-ol
CAS Name:1-(benzenesulfonyl)-3-azepan-1-iumol
IUPAC Name:1-(benzenesulfonyl)azepan-1-ium-3-ol
Traditional Name:1-besylazepan-1-ium-3-ol
Formula: C12H18NO3S+
MolecularWeight: 256.34122
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC(C1)O)S(=O)(=O)C2=CC=CC=C2


Isomeric SMILES

C1CC[NH+](CC(C1)O)S(=O)(=O)C2=CC=CC=C2


InChI

InChI=1S/C12H17NO3S/c14-11-6-4-5-9-13(10-11)17(15,16)12-7-2-1-3-8-12/h1-3,7-8,11,14H,4-6,9-10H2/p+1


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