(3aS)-2-phenyl-4,5,6,7-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: (3aS)-2-phenyl-4,5,6,7-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: (3aS)-2-phenyl-4,5,6,7-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: (3aS)-2-phenyl-4,5,6,7-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: (3aS)-2-phenyl-4,5,6,7-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: (3aS)-2-phenyl-4,5,6,7-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C12H14N3O+ MolecularWeight: 216.25906

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC2C1=NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]C[C@H]2C1=NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C12H13N3O/c16-12-10-8-13-7-6-11(10)14-15(12)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/p+1/t10-/m0/s1