4-methylbenzenesulfonic acid; (1S,5S)-3-pyridin-3-yl-3,6-diazabicyclo[3.2.0]heptane

Systemtic Name: 4-methylbenzenesulfonic acid; (1S,5S)-3-pyridin-3-yl-3,6-diazabicyclo[3.2.0]heptane Openeye Name: 4-methylbenzenesulfonic acid; (1S,5S)-3-(3-pyridyl)-3,6-diazabicyclo[3.2.0]heptane CAS Name: 4-methylbenzenesulfonic acid; (1S,5S)-3-(3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane IUPAC Name: 4-methylbenzenesulfonic acid; (1S,5S)-3-pyridin-3-yl-3,6-diazabicyclo[3.2.0]heptane Traditional Name: (1S,5S)-3-(3-pyridyl)-3,6-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.C1C2CN(CC2N1)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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