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4-(azepan-1-ium-1-yl)butane-1-sulfonate

4-(azepan-1-ium-1-yl)butane-1-sulfonate

Systemtic Name:4-(azepan-1-ium-1-yl)butane-1-sulfonate
Openeye Name:4-(azepan-1-ium-1-yl)butane-1-sulfonate
CAS Name:4-(1-azepan-1-iumyl)-1-butanesulfonate
IUPAC Name:4-(azepan-1-ium-1-yl)butane-1-sulfonate
Traditional Name:4-(azepan-1-ium-1-yl)butane-1-sulfonate
Formula: C10H21NO3S
MolecularWeight: 235.34364
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCCS(=O)(=O)[O-]


Isomeric SMILES

C1CCC[NH+](CC1)CCCCS(=O)(=O)[O-]


InChI

InChI=1S/C10H21NO3S/c12-15(13,14)10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2,(H,12,13,14)


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