6-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonyl-2-methyl-pyridazin-3-one

Systemtic Name: 6-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonyl-2-methyl-pyridazin-3-one Openeye Name: 6-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]-2-methyl-pyridazin-3-one CAS Name: 6-[[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]-2-methyl-3-pyridazinone IUPAC Name: 6-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one Traditional Name: 6-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]-2-methyl-pyridazin-3-one Formula: C21H27FN5O2+ MolecularWeight: 400.469783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H26FN5O2/c1-24-20(28)9-8-19(23-24)21(29)27-10-2-3-18(15-27)26-13-11-25(12-14-26)17-6-4-16(22)5-7-17/h4-9,18H,2-3,10-15H2,1H3/p+1/t18-/m0/s1