10,10-dimethyl-4-aza-10-azoniabicyclo[4.3.1]decan-3-one; 4-methylbenzenesulfonate

Systemtic Name: 10,10-dimethyl-4-aza-10-azoniabicyclo[4.3.1]decan-3-one; 4-methylbenzenesulfonate Openeye Name: 10,10-dimethyl-4-aza-10-azoniabicyclo[4.3.1]decan-3-one; 4-methylbenzenesulfonate CAS Name: 10,10-dimethyl-4-aza-10-azoniabicyclo[4.3.1]decan-3-one; 4-methylbenzenesulfonate IUPAC Name: 10,10-dimethyl-4-aza-10-azoniabicyclo[4.3.1]decan-3-one; 4-methylbenzenesulfonate Traditional Name: 10,10-dimethyl-4-aza-10-azoniabicyclo[4.3.1]decan-3-one tosylate Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C2CCCC1CNC(=O)C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C2CCCC1CNC(=O)C2)C

InChI

InChI=1S/C10H18N2O.C7H8O3S/c1-12(2)8-4-3-5-9(12)7-11-10(13)6-8;1-6-2-4-7(5-3-6)11(8,9)10/h8-9H,3-7H2,1-2H3;2-5H,1H3,(H,8,9,10)