4-[heptyl(dimethyl)azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[heptyl(dimethyl)azaniumyl]butane-1-sulfonate Openeye Name: 4-[heptyl(dimethyl)ammonio]butane-1-sulfonate CAS Name: 4-[heptyl(dimethyl)ammonio]-1-butanesulfonate IUPAC Name: 4-[heptyl(dimethyl)azaniumyl]butane-1-sulfonate Traditional Name: 4-[heptyl(dimethyl)ammonio]butane-1-sulfonate Formula: C13H29NO3S MolecularWeight: 279.43926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](C)(C)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC[N+](C)(C)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C13H29NO3S/c1-4-5-6-7-8-11-14(2,3)12-9-10-13-18(15,16)17/h4-13H2,1-3H3