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

Systemtic Name: 3-[(S)-(3,4-dimethoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-ethyl-6-methyl-2-oxidanyl-pyridin-4-one Openeye Name: 3-[(S)-(3,4-dimethoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-ethyl-2-hydroxy-6-methyl-pyridin-4-one CAS Name: 3-[(S)-(3,4-dimethoxyphenyl)-(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-ethyl-2-hydroxy-6-methyl-4-pyridinone IUPAC Name: 3-[(S)-(3,4-dimethoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-ethyl-2-hydroxy-6-methylpyridin-4-one Traditional Name: 3-[(S)-(3,4-dimethoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-ethyl-2-hydroxy-6-methyl-4-pyridone Formula: C22H33N3O4+2 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-6-25-15(2)13-17(26)20(22(25)27)21(24-11-9-23(3)10-12-24)16-7-8-18(28-4)19(14-16)29-5/h7-8,13-14,21,27H,6,9-12H2,1-5H3/p+2/t21-/m0/s1