3-methyl-4-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]phthalazine-1-carboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C22H30N4O2/c1-25-21(28)18-11-5-4-10-17(18)19(24-25)20(27)23-16-22(12-6-2-7-13-22)26-14-8-3-9-15-26/h4-5,10-11H,2-3,6-9,12-16H2,1H3,(H,23,27)/p+1