6-methyl-4-oxidanylidene-1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide

Systemtic Name: 6-methyl-4-oxidanylidene-1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide Openeye Name: 6-methyl-4-oxo-1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide CAS Name: 6-methyl-4-oxo-1-phenyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-pyridazinecarboxamide IUPAC Name: 6-methyl-4-oxo-1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide Traditional Name: 4-keto-6-methyl-1-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]pyridazine-3-carboxamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C25H28N4O2/c1-19-16-23(30)24(27-29(19)22-8-4-2-5-9-22)25(31)26-17-20-10-12-21(13-11-20)18-28-14-6-3-7-15-28/h2,4-5,8-13,16H,3,6-7,14-15,17-18H2,1H3,(H,26,31)/p+1