3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one Formula: C17H24N5O2+ MolecularWeight: 330.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=O)C3=NNC(=O)C=C3)C

Isomeric SMILES

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=O)C3=NNC(=O)C=C3)C

InChI

InChI=1S/C17H23N5O2/c1-13-3-4-14(2)22(13)12-9-20-7-10-21(11-8-20)17(24)15-5-6-16(23)19-18-15/h3-6H,7-12H2,1-2H3,(H,19,23)/p+1