3-(2-methylpropyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]phthalazine-1-carboxamide Formula: C24H35N4O3+ MolecularWeight: 427.5597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O3/c1-18(2)16-28-23(30)20-9-5-4-8-19(20)21(26-28)22(29)25-17-24(10-6-3-7-11-24)27-12-14-31-15-13-27/h4-5,8-9,18H,3,6-7,10-17H2,1-2H3,(H,25,29)/p+1