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

Systemtic Name: 3-methyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]phthalazine-1-carboxamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C21H28N4O3/c1-24-20(27)17-8-4-3-7-16(17)18(23-24)19(26)22-15-21(9-5-2-6-10-21)25-11-13-28-14-12-25/h3-4,7-8H,2,5-6,9-15H2,1H3,(H,22,26)/p+1