1-methyl-1-[4-(4-methyl-5-oxidanylidene-4H-pyridazin-3-yl)phenyl]pyrrol-1-ium-3-carbaldehyde; propan-2-amine

Systemtic Name: 1-methyl-1-[4-(4-methyl-5-oxidanylidene-4H-pyridazin-3-yl)phenyl]pyrrol-1-ium-3-carbaldehyde; propan-2-amine Openeye Name: 1-methyl-1-[4-(4-methyl-5-oxo-4H-pyridazin-3-yl)phenyl]pyrrol-1-ium-3-carbaldehyde; propan-2-amine CAS Name: 1-methyl-1-[4-(4-methyl-5-oxo-4H-pyridazin-3-yl)phenyl]-3-pyrrol-1-iumcarboxaldehyde; 2-propanamine IUPAC Name: 1-methyl-1-[4-(4-methyl-5-oxo-4H-pyridazin-3-yl)phenyl]pyrrol-1-ium-3-carbaldehyde; propan-2-amine Traditional Name: isopropylamine; 1-[4-(5-keto-4-methyl-4H-pyridazin-3-yl)phenyl]-1-methyl-pyrrol-1-ium-3-carbaldehyde Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C=NN=C1C2=CC=C(C=C2)[N+]3(C=CC(=C3)C=O)C.CC(C)N

Isomeric SMILES

CC1C(=O)C=NN=C1C2=CC=C(C=C2)[N+]3(C=CC(=C3)C=O)C.CC(C)N

InChI

InChI=1S/C17H16N3O2.C3H9N/c1-12-16(22)9-18-19-17(12)14-3-5-15(6-4-14)20(2)8-7-13(10-20)11-21;1-3(2)4/h3-12H,1-2H3;3H,4H2,1-2H3/q+1;