3-(3-aminophenyl)-1-(phenylmethyl)-3H-pyridazin-1-ium-6-one

Systemtic Name: 3-(3-aminophenyl)-1-(phenylmethyl)-3H-pyridazin-1-ium-6-one Openeye Name: 3-(3-aminophenyl)-1-benzyl-3H-pyridazin-1-ium-6-one CAS Name: 3-(3-aminophenyl)-1-(phenylmethyl)-3H-pyridazin-1-ium-6-one IUPAC Name: 3-(3-aminophenyl)-1-benzyl-3H-pyridazin-1-ium-6-one Traditional Name: 3-(3-aminophenyl)-1-benzyl-3H-pyridazin-1-ium-6-one Formula: C17H16N3O+ MolecularWeight: 278.32844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=NC(C=CC2=O)C3=CC(=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=NC(C=CC2=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C17H16N3O/c18-15-8-4-7-14(11-15)16-9-10-17(21)20(19-16)12-13-5-2-1-3-6-13/h1-11,16H,12,18H2/q+1