4-methylbenzenesulfonic acid; (1-pyridin-2-ylcyclohexyl)methanamine

Systemtic Name: 4-methylbenzenesulfonic acid; (1-pyridin-2-ylcyclohexyl)methanamine Openeye Name: 4-methylbenzenesulfonic acid; [1-(2-pyridyl)cyclohexyl]methanamine CAS Name: 4-methylbenzenesulfonic acid; [1-(2-pyridinyl)cyclohexyl]methanamine IUPAC Name: 4-methylbenzenesulfonic acid; (1-pyridin-2-ylcyclohexyl)methanamine Traditional Name: [1-(2-pyridyl)cyclohexyl]methylamine; tosylic acid Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)(CN)C2=CC=CC=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)(CN)C2=CC=CC=N2

InChI

InChI=1S/C12H18N2.C7H8O3S/c13-10-12(7-3-1-4-8-12)11-6-2-5-9-14-11;1-6-2-4-7(5-3-6)11(8,9)10/h2,5-6,9H,1,3-4,7-8,10,13H2;2-5H,1H3,(H,8,9,10)