sodium 2-(1-azanylpropyl)benzenesulfonate

Systemtic Name: sodium 2-(1-azanylpropyl)benzenesulfonate Openeye Name: sodium 2-(1-aminopropyl)benzenesulfonate CAS Name: sodium 2-(1-aminopropyl)benzenesulfonate IUPAC Name: sodium 2-(1-aminopropyl)benzenesulfonate Traditional Name: sodium 2-(1-aminopropyl)besylate Formula: C9H12NNaO3S MolecularWeight: 237.25125

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

CCC(C1=CC=CC=C1S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C9H13NO3S.Na/c1-2-8(10)7-5-3-4-6-9(7)14(11,12)13;/h3-6,8H,2,10H2,1H3,(H,11,12,13);/q;+1/p-1