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

Systemtic Name: 4-[dimethyl-(phenylmethyl)azaniumyl]butane-1-sulfonate Openeye Name: 4-[benzyl(dimethyl)ammonio]butane-1-sulfonate CAS Name: 4-[dimethyl-(phenylmethyl)ammonio]-1-butanesulfonate IUPAC Name: 4-[benzyl(dimethyl)azaniumyl]butane-1-sulfonate Traditional Name: 4-[benzyl(dimethyl)ammonio]butane-1-sulfonate Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCS(=O)(=O)[O-])CC1=CC=CC=C1

Isomeric SMILES

C[N+](C)(CCCCS(=O)(=O)[O-])CC1=CC=CC=C1

InChI

InChI=1S/C13H21NO3S/c1-14(2,10-6-7-11-18(15,16)17)12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3