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

Systemtic Name: 6-oxidanylidene-1-(2-phenoxyethyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide Openeye Name: 6-oxo-1-(2-phenoxyethyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide CAS Name: 6-oxo-1-(2-phenoxyethyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-pyridazinecarboxamide IUPAC Name: 6-oxo-1-(2-phenoxyethyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide Traditional Name: 6-keto-1-(2-phenoxyethyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyridazine-3-carboxamide Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c30-24-13-12-23(27-29(24)16-17-32-22-10-2-1-3-11-22)25(31)26-18-20-8-4-5-9-21(20)19-28-14-6-7-15-28/h1-5,8-13H,6-7,14-19H2,(H,26,31)/p+1