(4aS,8aR)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-3-ium-1-one

Systemtic Name: (4aS,8aR)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-3-ium-1-one Openeye Name: (4aS,8aR)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-3-ium-1-one CAS Name: (4aS,8aR)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-3-ium-1-one IUPAC Name: (4aS,8aR)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-3-ium-1-one Traditional Name: (4aS,8aR)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-3-ium-1-one Formula: C9H15N2O+ MolecularWeight: 167.2282

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2CCCCC2C(=O)N1

Isomeric SMILES

C[N+]1=C[C@H]2CCCC[C@H]2C(=O)N1

InChI

InChI=1S/C9H14N2O/c1-11-6-7-4-2-3-5-8(7)9(12)10-11/h6-8H,2-5H2,1H3/p+1/t7-,8-/m1/s1