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

Systemtic Name: 6-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-yl]carbonyl-2-phenyl-1,4-dihydropyridazin-3-one Openeye Name: 6-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one CAS Name: 6-[[4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-2-phenyl-1,4-dihydropyridazin-3-one IUPAC Name: 6-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one Traditional Name: 6-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one Formula: C23H30N5O2+ MolecularWeight: 408.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=O)C3=CCC(=O)N(N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=O)C3=CCC(=O)N(N3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H29N5O2/c1-18-8-9-19(2)27(18)17-14-25-12-15-26(16-13-25)23(30)21-10-11-22(29)28(24-21)20-6-4-3-5-7-20/h3-10,24H,11-17H2,1-2H3/p+1