(4-azanylcyclohexyl) 4-methylbenzenesulfonate hydrobromide

Systemtic Name: (4-azanylcyclohexyl) 4-methylbenzenesulfonate hydrobromide Openeye Name: (4-aminocyclohexyl) 4-methylbenzenesulfonate hydrobromide CAS Name: 4-methylbenzenesulfonic acid (4-aminocyclohexyl) ester hydrobromide IUPAC Name: (4-aminocyclohexyl) 4-methylbenzenesulfonate hydrobromide Traditional Name: 4-methylbenzenesulfonic acid (4-aminocyclohexyl) ester hydrobromide Formula: C13H20BrNO3S MolecularWeight: 350.2718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)N.Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)N.Br

InChI

InChI=1S/C13H19NO3S.BrH/c1-10-2-8-13(9-3-10)18(15,16)17-12-6-4-11(14)5-7-12;/h2-3,8-9,11-12H,4-7,14H2,1H3;1H