3-(3-aminophenyl)-1-(2-methylpropyl)-3H-pyridazin-1-ium-6-one

Systemtic Name: 3-(3-aminophenyl)-1-(2-methylpropyl)-3H-pyridazin-1-ium-6-one Openeye Name: 3-(3-aminophenyl)-1-isobutyl-3H-pyridazin-1-ium-6-one CAS Name: 3-(3-aminophenyl)-1-(2-methylpropyl)-3H-pyridazin-1-ium-6-one IUPAC Name: 3-(3-aminophenyl)-1-(2-methylpropyl)-3H-pyridazin-1-ium-6-one Traditional Name: 3-(3-aminophenyl)-1-isobutyl-3H-pyridazin-1-ium-6-one Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N3O/c1-10(2)9-17-14(18)7-6-13(16-17)11-4-3-5-12(15)8-11/h3-8,10,13H,9,15H2,1-2H3/q+1