4-chloranylbenzenesulfonate; 2-[(2S,3R)-3-ethyloxiran-2-yl]ethyl-trimethyl-azanium

Systemtic Name: 4-chloranylbenzenesulfonate; 2-[(2S,3R)-3-ethyloxiran-2-yl]ethyl-trimethyl-azanium Openeye Name: 4-chlorobenzenesulfonate; 2-[(2S,3R)-3-ethyloxiran-2-yl]ethyl-trimethyl-ammonium CAS Name: 4-chlorobenzenesulfonate; 2-[(2S,3R)-3-ethyl-2-oxiranyl]ethyl-trimethylammonium IUPAC Name: 4-chlorobenzenesulfonate; 2-[(2S,3R)-3-ethyloxiran-2-yl]ethyl-trimethylazanium Traditional Name: 4-chlorobesylate; 2-[(2S,3R)-3-ethyloxiran-2-yl]ethyl-trimethyl-ammonium Formula: C15H24ClNO4S MolecularWeight: 349.87336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(O1)CC[N+](C)(C)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

Isomeric SMILES

CC[C@@H]1[C@@H](O1)CC[N+](C)(C)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

InChI

InChI=1S/C9H20NO.C6H5ClO3S/c1-5-8-9(11-8)6-7-10(2,3)4;7-5-1-3-6(4-2-5)11(8,9)10/h8-9H,5-7H2,1-4H3;1-4H,(H,8,9,10)/q+1;/p-1/t8-,9+;/m1./s1