3-[(4-azanyl-3-chloranyl-4-oxidanylidene-butyl)-dimethyl-azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[(4-azanyl-3-chloranyl-4-oxidanylidene-butyl)-dimethyl-azaniumyl]propane-1-sulfonate Openeye Name: 3-[(4-amino-3-chloro-4-oxo-butyl)-dimethyl-ammonio]propane-1-sulfonate CAS Name: 3-[(4-amino-3-chloro-4-oxobutyl)-dimethylammonio]-1-propanesulfonate IUPAC Name: 3-[(4-amino-3-chloro-4-oxobutyl)-dimethylazaniumyl]propane-1-sulfonate Traditional Name: 3-[(4-amino-3-chloro-4-keto-butyl)-dimethyl-ammonio]propane-1-sulfonate Formula: C9H19ClN2O4S MolecularWeight: 286.77616

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCS(=O)(=O)[O-])CCC(C(=O)N)Cl

Isomeric SMILES

C[N+](C)(CCCS(=O)(=O)[O-])CCC(C(=O)N)Cl

InChI

InChI=1S/C9H19ClN2O4S/c1-12(2,5-3-7-17(14,15)16)6-4-8(10)9(11)13/h8H,3-7H2,1-2H3,(H2-,11,13,14,15,16)