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

Systemtic Name: 4-[[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-ammonio]butane-1-sulfonate CAS Name: 4-[[5-(4-chlorophenyl)-2-furanyl]methyl-methylammonio]-1-butanesulfonate IUPAC Name: 4-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylazaniumyl]butane-1-sulfonate Traditional Name: 4-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-ammonio]butane-1-sulfonate Formula: C16H20ClNO4S MolecularWeight: 357.8523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClNO4S/c1-18(10-2-3-11-23(19,20)21)12-15-8-9-16(22-15)13-4-6-14(17)7-5-13/h4-9H,2-3,10-12H2,1H3,(H,19,20,21)