1-ethyl-6-methyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-(4-methylsulfanylphenyl)methyl]-2-oxidanyl-pyridin-4-one

Systemtic Name: 1-ethyl-6-methyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-(4-methylsulfanylphenyl)methyl]-2-oxidanyl-pyridin-4-one Openeye Name: 1-ethyl-2-hydroxy-6-methyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-4-one CAS Name: 1-ethyl-2-hydroxy-6-methyl-3-[(S)-(4-methyl-1-piperazine-1,4-diiumyl)-[4-(methylthio)phenyl]methyl]-4-pyridinone IUPAC Name: 1-ethyl-2-hydroxy-6-methyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-4-one Traditional Name: 1-ethyl-2-hydroxy-6-methyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-[4-(methylthio)phenyl]methyl]-4-pyridone Formula: C21H31N3O2S+2 MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=O)C(=C1O)C(C2=CC=C(C=C2)SC)[NH+]3CC[NH+](CC3)C)C

Isomeric SMILES

CCN1C(=CC(=O)C(=C1O)[C@H](C2=CC=C(C=C2)SC)[NH+]3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H29N3O2S/c1-5-24-15(2)14-18(25)19(21(24)26)20(23-12-10-22(3)11-13-23)16-6-8-17(27-4)9-7-16/h6-9,14,20,26H,5,10-13H2,1-4H3/p+2/t20-/m0/s1