3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyridazin-6-one CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyridazin-6-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyridazin-6-one Formula: C16H19N4O2+ MolecularWeight: 299.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NNC(=O)C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C16H18N4O2/c21-15-7-6-14(17-18-15)16(22)20-10-8-19(9-11-20)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H,18,21)/p+1