6-oxidanylidene-1-(2-phenoxyethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide

Systemtic Name: 6-oxidanylidene-1-(2-phenoxyethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide Openeye Name: 6-oxo-1-(2-phenoxyethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide CAS Name: 6-oxo-1-(2-phenoxyethyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-3-pyridazinecarboxamide IUPAC Name: 6-oxo-1-(2-phenoxyethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide Traditional Name: 6-keto-1-(2-phenoxyethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C25H34N4O3/c30-23-13-12-22(27-29(23)18-19-32-21-10-4-1-5-11-21)24(31)26-20-25(14-6-2-7-15-25)28-16-8-3-9-17-28/h1,4-5,10-13H,2-3,6-9,14-20H2,(H,26,31)/p+1