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

Systemtic Name: 4-[methyl-(phenylmethyl)azaniumyl]butane-1-sulfonate Openeye Name: 4-[benzyl(methyl)ammonio]butane-1-sulfonate CAS Name: 4-[methyl-(phenylmethyl)ammonio]-1-butanesulfonate IUPAC Name: 4-[benzyl(methyl)azaniumyl]butane-1-sulfonate Traditional Name: 4-[benzyl(methyl)ammonio]butane-1-sulfonate Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3S/c1-13(9-5-6-10-17(14,15)16)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,14,15,16)