3-[4-(2,4-dimethylphenyl)piperazin-1-yl]carbonyl-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-pyridin-4-one

Systemtic Name: 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]carbonyl-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-pyridin-4-one Openeye Name: 3-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-pyridin-4-one CAS Name: 3-[[4-(2,4-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-ethyl-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-6-methyl-4-pyridinone IUPAC Name: 3-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methylpyridin-4-one Traditional Name: 3-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-4-pyridone Formula: C28H41N4O2+ MolecularWeight: 465.65074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2CCC[NH+]2CC)C)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C)C

Isomeric SMILES

CCC1=C(C(=O)C=C(N1C[C@@H]2CCC[NH+]2CC)C)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C28H40N4O2/c1-6-24-27(26(33)18-22(5)32(24)19-23-9-8-12-29(23)7-2)28(34)31-15-13-30(14-16-31)25-11-10-20(3)17-21(25)4/h10-11,17-18,23H,6-9,12-16,19H2,1-5H3/p+1/t23-/m0/s1