3-[4-(diphenylmethyl)oxybut-2-ynyl-dimethyl-azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[4-(diphenylmethyl)oxybut-2-ynyl-dimethyl-azaniumyl]propane-1-sulfonate Openeye Name: 3-[4-benzhydryloxybut-2-ynyl(dimethyl)ammonio]propane-1-sulfonate CAS Name: 3-[4-(diphenylmethyl)oxybut-2-ynyl-dimethylammonio]-1-propanesulfonate IUPAC Name: 3-[4-benzhydryloxybut-2-ynyl(dimethyl)azaniumyl]propane-1-sulfonate Traditional Name: 3-[4-benzhydryloxybut-2-ynyl(dimethyl)ammonio]propane-1-sulfonate Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCS(=O)(=O)[O-])CC#CCOC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

C[N+](C)(CCCS(=O)(=O)[O-])CC#CCOC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO4S/c1-23(2,17-11-19-28(24,25)26)16-9-10-18-27-22(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-8,12-15,22H,11,16-19H2,1-2H3