6-oxidanylidene-1-(2-phenoxyethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide

Systemtic Name: 6-oxidanylidene-1-(2-phenoxyethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide Openeye Name: 6-oxo-1-(2-phenoxyethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide CAS Name: 6-oxo-1-(2-phenoxyethyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-pyridazinecarboxamide IUPAC Name: 6-oxo-1-(2-phenoxyethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide Traditional Name: 6-keto-1-(2-phenoxyethyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]pyridazine-3-carboxamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c31-25-14-13-24(28-30(25)17-18-33-23-7-3-1-4-8-23)26(32)27-19-21-9-11-22(12-10-21)20-29-15-5-2-6-16-29/h1,3-4,7-14H,2,5-6,15-20H2,(H,27,32)/p+1