N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide Traditional Name: 6-keto-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C22H30N4O3/c27-20-10-9-19(24-26(20)18-7-3-1-4-8-18)21(28)23-17-22(11-5-2-6-12-22)25-13-15-29-16-14-25/h1,3-4,7-8H,2,5-6,9-17H2,(H,23,28)/p+1