3-[[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-azaniumyl]propane-1-sulfonate Openeye Name: 3-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-ammonio]propane-1-sulfonate CAS Name: 3-[[5-(4-chlorophenyl)-2-furanyl]methyl-methylammonio]-1-propanesulfonate IUPAC Name: 3-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylazaniumyl]propane-1-sulfonate Traditional Name: 3-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-ammonio]propane-1-sulfonate Formula: C15H18ClNO4S MolecularWeight: 343.82572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCS(=O)(=O)[O-])CC1=CC=C(O1)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+](CCCS(=O)(=O)[O-])CC1=CC=C(O1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H18ClNO4S/c1-17(9-2-10-22(18,19)20)11-14-7-8-15(21-14)12-3-5-13(16)6-4-12/h3-8H,2,9-11H2,1H3,(H,18,19,20)