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

Systemtic Name: 3-[4-(2-azanylethyl)phenyl]-1-(2-methylpropyl)-3H-pyridazin-1-ium-6-one Openeye Name: 3-[4-(2-aminoethyl)phenyl]-1-isobutyl-3H-pyridazin-1-ium-6-one CAS Name: 3-[4-(2-aminoethyl)phenyl]-1-(2-methylpropyl)-3H-pyridazin-1-ium-6-one IUPAC Name: 3-[4-(2-aminoethyl)phenyl]-1-(2-methylpropyl)-3H-pyridazin-1-ium-6-one Traditional Name: 3-[4-(2-aminoethyl)phenyl]-1-isobutyl-3H-pyridazin-1-ium-6-one Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N3O/c1-12(2)11-19-16(20)8-7-15(18-19)14-5-3-13(4-6-14)9-10-17/h3-8,12,15H,9-11,17H2,1-2H3/q+1