4-methylbenzenesulfonic acid; 7-pyridin-3-yl-4,7-diazabicyclo[3.2.0]heptane

Systemtic Name: 4-methylbenzenesulfonic acid; 7-pyridin-3-yl-4,7-diazabicyclo[3.2.0]heptane Openeye Name: 4-methylbenzenesulfonic acid; 7-(3-pyridyl)-4,7-diazabicyclo[3.2.0]heptane CAS Name: 4-methylbenzenesulfonic acid; 7-(3-pyridinyl)-4,7-diazabicyclo[3.2.0]heptane IUPAC Name: 4-methylbenzenesulfonic acid; 7-pyridin-3-yl-4,7-diazabicyclo[3.2.0]heptane Traditional Name: 7-(3-pyridyl)-4,7-diazabicyclo[3.2.0]heptane; tosylic acid Formula: C24H29N3O6S2 MolecularWeight: 519.63356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CNC2C1N(C2)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CNC2C1N(C2)C3=CN=CC=C3

InChI

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