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

Systemtic Name: 4-[dimethyl(4-phenylbutyl)azaniumyl]butane-1-sulfonate Openeye Name: 4-[dimethyl(4-phenylbutyl)ammonio]butane-1-sulfonate CAS Name: 4-[dimethyl(4-phenylbutyl)ammonio]-1-butanesulfonate IUPAC Name: 4-[dimethyl(4-phenylbutyl)azaniumyl]butane-1-sulfonate Traditional Name: 4-[dimethyl(4-phenylbutyl)ammonio]butane-1-sulfonate Formula: C16H27NO3S MolecularWeight: 313.45548

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCC1=CC=CC=C1)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(CCCCC1=CC=CC=C1)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C16H27NO3S/c1-17(2,14-8-9-15-21(18,19)20)13-7-6-12-16-10-4-3-5-11-16/h3-5,10-11H,6-9,12-15H2,1-2H3