2-chloranyl-3-methyl-4-(3-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octan-8-yl)benzenecarbonitrile; methanesulfonic acid

Systemtic Name: 2-chloranyl-3-methyl-4-(3-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octan-8-yl)benzenecarbonitrile; methanesulfonic acid Openeye Name: 2-chloro-4-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-benzonitrile; methanesulfonic acid CAS Name: 2-chloro-4-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzonitrile; methanesulfonic acid IUPAC Name: 2-chloro-4-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzonitrile; methanesulfonic acid Traditional Name: 2-chloro-4-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-benzonitrile; mesylic acid Formula: C17H23ClN2O4S MolecularWeight: 386.89352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)C#N)N2C3CCC2CC(C3)(C)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1Cl)C#N)N2C3CCC2CC(C3)(C)O.CS(=O)(=O)O

InChI

InChI=1S/C16H19ClN2O.CH4O3S/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12;1-5(2,3)4/h3,6,12-13,20H,4-5,7-8H2,1-2H3;1H3,(H,2,3,4)