4-methylbenzenesulfonic acid; (1S,4S)-2-pyridin-3-yl-2,5-diazabicyclo[2.2.1]heptane

Systemtic Name: 4-methylbenzenesulfonic acid; (1S,4S)-2-pyridin-3-yl-2,5-diazabicyclo[2.2.1]heptane Openeye Name: 4-methylbenzenesulfonic acid; (1S,4S)-2-(3-pyridyl)-2,5-diazabicyclo[2.2.1]heptane CAS Name: 4-methylbenzenesulfonic acid; (1S,4S)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane IUPAC Name: 4-methylbenzenesulfonic acid; (1S,4S)-2-pyridin-3-yl-2,5-diazabicyclo[2.2.1]heptane Traditional Name: (1S,4S)-2-(3-pyridyl)-2,5-diazabicyclo[2.2.1]heptane; tosylic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C2CNC1CN2C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1[C@H]2CN[C@@H]1CN2C3=CN=CC=C3

InChI

InChI=1S/C10H13N3.C7H8O3S/c1-2-9(5-11-3-1)13-7-8-4-10(13)6-12-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5,8,10,12H,4,6-7H2;2-5H,1H3,(H,8,9,10)/t8-,10-;/m0./s1