1-[6-(1-azoniabicyclo[2.2.1]heptan-1-yl)naphthalen-2-yl]ethanone; 4-methylbenzenesulfonate

Systemtic Name: 1-[6-(1-azoniabicyclo[2.2.1]heptan-1-yl)naphthalen-2-yl]ethanone; 4-methylbenzenesulfonate Openeye Name: 1-[6-(1-azoniabicyclo[2.2.1]heptan-1-yl)-2-naphthyl]ethanone; 4-methylbenzenesulfonate CAS Name: 1-[6-(1-azoniabicyclo[2.2.1]heptan-1-yl)-2-naphthalenyl]ethanone; 4-methylbenzenesulfonate IUPAC Name: 1-[6-(1-azoniabicyclo[2.2.1]heptan-1-yl)naphthalen-2-yl]ethanone; 4-methylbenzenesulfonate Traditional Name: 1-[6-(1-azoniabicyclo[2.2.1]heptan-1-yl)-2-naphthyl]ethanone tosylate Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)C1=CC2=C(C=C1)C=C(C=C2)[N+]34CCC(C3)CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)C1=CC2=C(C=C1)C=C(C=C2)[N+]34CCC(C3)CC4

InChI

InChI=1S/C18H20NO.C7H8O3S/c1-13(20)15-2-3-17-11-18(5-4-16(17)10-15)19-8-6-14(12-19)7-9-19;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,10-11,14H,6-9,12H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1