4-(4-azoniaspiro[3.5]nonan-7-ylmethoxy)benzenecarbonitrile; methanesulfonate

Systemtic Name: 4-(4-azoniaspiro[3.5]nonan-7-ylmethoxy)benzenecarbonitrile; methanesulfonate Openeye Name: 4-(4-azoniaspiro[3.5]nonan-7-ylmethoxy)benzonitrile; methanesulfonate CAS Name: 4-(4-azoniaspiro[3.5]nonan-7-ylmethoxy)benzonitrile; methanesulfonate IUPAC Name: 4-(4-azoniaspiro[3.5]nonan-7-ylmethoxy)benzonitrile; methanesulfonate Traditional Name: 4-(4-azoniaspiro[3.5]nonan-7-ylmethoxy)benzonitrile mesylate Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1C[N+]2(C1)CCC(CC2)COC3=CC=C(C=C3)C#N

Isomeric SMILES

CS(=O)(=O)[O-].C1C[N+]2(C1)CCC(CC2)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H21N2O.CH4O3S/c17-12-14-2-4-16(5-3-14)19-13-15-6-10-18(11-7-15)8-1-9-18;1-5(2,3)4/h2-5,15H,1,6-11,13H2;1H3,(H,2,3,4)/q+1;/p-1