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

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)[NH+]4CCCCC4

InChI

InChI=1S/C22H30N4O3/c27-19(15-26-21(29)18-10-4-3-9-17(18)20(28)24-26)23-16-22(11-5-1-6-12-22)25-13-7-2-8-14-25/h3-4,9-10H,1-2,5-8,11-16H2,(H,23,27)(H,24,28)/p+1