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dimethyl-(phenylmethyl)azanium; propane-1-sulfonate

dimethyl-(phenylmethyl)azanium; propane-1-sulfonate

Systemtic Name:dimethyl-(phenylmethyl)azanium; propane-1-sulfonate
Openeye Name:benzyl(dimethyl)ammonium; propane-1-sulfonate
CAS Name:dimethyl-(phenylmethyl)ammonium; 1-propanesulfonate
IUPAC Name:benzyl(dimethyl)azanium; propane-1-sulfonate
Traditional Name:benzyl(dimethyl)ammonium; propane-1-sulfonate
Formula: C12H21NO3S
MolecularWeight: 259.36504
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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)[O-].C[NH+](C)CC1=CC=CC=C1


Isomeric SMILES

CCCS(=O)(=O)[O-].C[NH+](C)CC1=CC=CC=C1


InChI

InChI=1S/C9H13N.C3H8O3S/c1-10(2)8-9-6-4-3-5-7-9;1-2-3-7(4,5)6/h3-7H,8H2,1-2H3;2-3H2,1H3,(H,4,5,6)


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