2-[(1S,3R)-3-azanylcyclopentyl]ethanenitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[(1S,3R)-3-azanylcyclopentyl]ethanenitrile; 4-methylbenzenesulfonic acid Openeye Name: 2-[(1S,3R)-3-aminocyclopentyl]acetonitrile; 4-methylbenzenesulfonic acid CAS Name: 2-[(1S,3R)-3-aminocyclopentyl]acetonitrile; 4-methylbenzenesulfonic acid IUPAC Name: 2-[(1S,3R)-3-aminocyclopentyl]acetonitrile; 4-methylbenzenesulfonic acid Traditional Name: 2-[(1S,3R)-3-aminocyclopentyl]acetonitrile; tosylic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(CC1CC#N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C[C@H](C[C@H]1CC#N)N

InChI

InChI=1S/C7H12N2.C7H8O3S/c8-4-3-6-1-2-7(9)5-6;1-6-2-4-7(5-3-6)11(8,9)10/h6-7H,1-3,5,9H2;2-5H,1H3,(H,8,9,10)/t6-,7-;/m1./s1