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

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propionamide Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2)[NH+]4CCOCC4

InChI

InChI=1S/C22H30N4O4/c27-19(8-11-26-21(29)18-7-3-2-6-17(18)20(28)24-26)23-16-22(9-4-1-5-10-22)25-12-14-30-15-13-25/h2-3,6-7H,1,4-5,8-16H2,(H,23,27)(H,24,28)/p+1