5-[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 5-[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile; 4-methylbenzenesulfonic acid Openeye Name: 5-[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile; 4-methylbenzenesulfonic acid CAS Name: 5-[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinecarbonitrile; 4-methylbenzenesulfonic acid IUPAC Name: 5-[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridine-3-carbonitrile; 4-methylbenzenesulfonic acid Traditional Name: 5-[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]nicotinonitrile; tosylic acid Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C2CN(CC2N1)C3=CN=CC(=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1[C@H]2CN(C[C@H]2N1)C3=CN=CC(=C3)C#N

InChI

InChI=1S/C11H12N4.C7H8O3S/c12-2-8-1-10(5-13-3-8)15-6-9-4-14-11(9)7-15;1-6-2-4-7(5-3-6)11(8,9)10/h1,3,5,9,11,14H,4,6-7H2;2-5H,1H3,(H,8,9,10)/t9-,11+;/m0./s1