(2-butyl-1-benzofuran-5-yl)azanium; propane-1-sulfonate

Systemtic Name: (2-butyl-1-benzofuran-5-yl)azanium; propane-1-sulfonate Openeye Name: (2-butylbenzofuran-5-yl)ammonium; propane-1-sulfonate CAS Name: (2-butyl-5-benzofuranyl)ammonium; 1-propanesulfonate IUPAC Name: (2-butyl-1-benzofuran-5-yl)azanium; propane-1-sulfonate Traditional Name: (2-butylbenzofuran-5-yl)ammonium; propane-1-sulfonate Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(O1)C=CC(=C2)[NH3+].CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCC1=CC2=C(O1)C=CC(=C2)[NH3+].CCCS(=O)(=O)[O-]

InChI

InChI=1S/C12H15NO.C3H8O3S/c1-2-3-4-11-8-9-7-10(13)5-6-12(9)14-11;1-2-3-7(4,5)6/h5-8H,2-4,13H2,1H3;2-3H2,1H3,(H,4,5,6)