2-methyl-5-[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 2-methyl-5-[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[[3-(5-methyl-2-furyl)phenyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[[3-(5-methyl-2-furanyl)phenyl]methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[3-(5-methyl-2-furyl)benzyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CC(=CC=C2)C[NH+]3CCN(CC3)C4=CC(=O)N(N=C4)C

Isomeric SMILES

CC1=CC=C(O1)C2=CC(=CC=C2)C[NH+]3CCN(CC3)C4=CC(=O)N(N=C4)C

InChI

InChI=1S/C21H24N4O2/c1-16-6-7-20(27-16)18-5-3-4-17(12-18)15-24-8-10-25(11-9-24)19-13-21(26)23(2)22-14-19/h3-7,12-14H,8-11,15H2,1-2H3/p+1