3-[dibutyl-[4-(2-hydroxyethyloxy)-4-methyl-pent-2-ynyl]azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[dibutyl-[4-(2-hydroxyethyloxy)-4-methyl-pent-2-ynyl]azaniumyl]propane-1-sulfonate Openeye Name: 3-[dibutyl-[4-(2-hydroxyethoxy)-4-methyl-pent-2-ynyl]ammonio]propane-1-sulfonate CAS Name: 3-[dibutyl-[4-(2-hydroxyethoxy)-4-methylpent-2-ynyl]ammonio]-1-propanesulfonate IUPAC Name: 3-[dibutyl-[4-(2-hydroxyethoxy)-4-methylpent-2-ynyl]azaniumyl]propane-1-sulfonate Traditional Name: 3-[dibutyl-[4-(2-hydroxyethoxy)-4-methyl-pent-2-ynyl]ammonio]propane-1-sulfonate Formula: C19H37NO5S MolecularWeight: 391.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCS(=O)(=O)[O-])CC#CC(C)(C)OCCO

Isomeric SMILES

CCCC[N+](CCCC)(CCCS(=O)(=O)[O-])CC#CC(C)(C)OCCO

InChI

InChI=1S/C19H37NO5S/c1-5-7-12-20(13-8-6-2,15-10-18-26(22,23)24)14-9-11-19(3,4)25-17-16-21/h21H,5-8,10,12-18H2,1-4H3