methanesulfonic acid; 4-phenyl-1-azabicyclo[2.2.1]heptane

Systemtic Name: methanesulfonic acid; 4-phenyl-1-azabicyclo[2.2.1]heptane Openeye Name: methanesulfonic acid; 4-phenyl-1-azabicyclo[2.2.1]heptane CAS Name: methanesulfonic acid; 4-phenyl-1-azabicyclo[2.2.1]heptane IUPAC Name: methanesulfonic acid; 4-phenyl-1-azabicyclo[2.2.1]heptane Traditional Name: mesylic acid; 4-phenyl-1-azabicyclo[2.2.1]heptane Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN2CCC1(C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)O.C1CN2CCC1(C2)C3=CC=CC=C3

InChI

InChI=1S/C12H15N.CH4O3S/c1-2-4-11(5-3-1)12-6-8-13(10-12)9-7-12;1-5(2,3)4/h1-5H,6-10H2;1H3,(H,2,3,4)