3-[4-(aminomethyl)phenyl]-1-methyl-3H-pyridazin-1-ium-6-one

Systemtic Name: 3-[4-(aminomethyl)phenyl]-1-methyl-3H-pyridazin-1-ium-6-one Openeye Name: 3-[4-(aminomethyl)phenyl]-1-methyl-3H-pyridazin-1-ium-6-one CAS Name: 3-[4-(aminomethyl)phenyl]-1-methyl-3H-pyridazin-1-ium-6-one IUPAC Name: 3-[4-(aminomethyl)phenyl]-1-methyl-3H-pyridazin-1-ium-6-one Traditional Name: 3-[4-(aminomethyl)phenyl]-1-methyl-3H-pyridazin-1-ium-6-one Formula: C12H14N3O+ MolecularWeight: 216.25906

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NC(C=CC1=O)C2=CC=C(C=C2)CN

Isomeric SMILES

C[N+]1=NC(C=CC1=O)C2=CC=C(C=C2)CN

InChI

InChI=1S/C12H14N3O/c1-15-12(16)7-6-11(14-15)10-4-2-9(8-13)3-5-10/h2-7,11H,8,13H2,1H3/q+1