6-methyl-1-[[(2R)-oxolan-2-yl]methyl]-2-phenethyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one

Systemtic Name: 6-methyl-1-[[(2R)-oxolan-2-yl]methyl]-2-phenethyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methyl-2-phenethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-4-one CAS Name: 6-methyl-1-[[(2R)-2-oxolanyl]methyl]-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-phenethyl-4-pyridinone IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methyl-1-[[(2R)-oxolan-2-yl]methyl]-2-phenethylpyridin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methyl-2-phenethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]-4-pyridone Formula: C31H38N3O3+ MolecularWeight: 500.65172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2CCCO2)CCC3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)C(=C(N1C[C@H]2CCCO2)CCC3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H37N3O3/c1-24-21-29(35)30(31(36)33-18-16-32(17-19-33)22-26-11-6-3-7-12-26)28(15-14-25-9-4-2-5-10-25)34(24)23-27-13-8-20-37-27/h2-7,9-12,21,27H,8,13-20,22-23H2,1H3/p+1/t27-/m1/s1