(3aS)-3a-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: (3aS)-3a-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: (3aS)-3a-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: (3aS)-3a-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: (3aS)-3a-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: (3aS)-3a-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C13H16N3O+ MolecularWeight: 230.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12C[NH2+]CCC1=NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

C[C@]12C[NH2+]CCC1=NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C13H15N3O/c1-13-9-14-8-7-11(13)15-16(12(13)17)10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3/p+1/t13-/m0/s1