3-[4-(2-azanylethyl)phenyl]-1-methyl-3H-pyridazin-1-ium-6-one

Systemtic Name: 3-[4-(2-azanylethyl)phenyl]-1-methyl-3H-pyridazin-1-ium-6-one Openeye Name: 3-[4-(2-aminoethyl)phenyl]-1-methyl-3H-pyridazin-1-ium-6-one CAS Name: 3-[4-(2-aminoethyl)phenyl]-1-methyl-3H-pyridazin-1-ium-6-one IUPAC Name: 3-[4-(2-aminoethyl)phenyl]-1-methyl-3H-pyridazin-1-ium-6-one Traditional Name: 3-[4-(2-aminoethyl)phenyl]-1-methyl-3H-pyridazin-1-ium-6-one Formula: C13H16N3O+ MolecularWeight: 230.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N3O/c1-16-13(17)7-6-12(15-16)11-4-2-10(3-5-11)8-9-14/h2-7,12H,8-9,14H2,1H3/q+1