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

Systemtic Name: 2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-pyridin-4-one CAS Name: 2-ethyl-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-6-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4-pyridinone IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methylpyridin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-4-pyridone Formula: C27H40N4O2+2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2CCC[NH+]2CC)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=O)C=C(N1C[C@@H]2CCC[NH+]2CC)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H38N4O2/c1-4-24-26(25(32)18-21(3)31(24)20-23-12-9-13-29(23)5-2)27(33)30-16-14-28(15-17-30)19-22-10-7-6-8-11-22/h6-8,10-11,18,23H,4-5,9,12-17,19-20H2,1-3H3/p+2/t23-/m0/s1