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

Systemtic Name: 2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-6-methyl-pyridin-4-one Openeye Name: 2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-pyridin-4-one CAS Name: 2-ethyl-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-6-methyl-4-pyridinone IUPAC Name: 2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one Traditional Name: 2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-pyridone Formula: C26H36FN4O2+ MolecularWeight: 455.588043

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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=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C26H35FN4O2/c1-4-23-25(24(32)17-19(3)31(23)18-22-7-6-12-28(22)5-2)26(33)30-15-13-29(14-16-30)21-10-8-20(27)9-11-21/h8-11,17,22H,4-7,12-16,18H2,1-3H3/p+1/t22-/m0/s1