N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)[NH+]4CCOCC4

InChI

InChI=1S/C21H28N4O3/c26-19(14-18-16-6-2-3-7-17(16)20(27)24-23-18)22-15-21(8-4-1-5-9-21)25-10-12-28-13-11-25/h2-3,6-7H,1,4-5,8-15H2,(H,22,26)(H,24,27)/p+1