ethyl 4-[(S)-(1-ethyl-6-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl)-(4-methylphenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(S)-(1-ethyl-6-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl)-(4-methylphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(S)-(1-ethyl-2-hydroxy-6-methyl-4-oxo-3-pyridyl)-(p-tolyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(S)-(1-ethyl-2-hydroxy-6-methyl-4-oxo-3-pyridinyl)-(4-methylphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(S)-(1-ethyl-2-hydroxy-6-methyl-4-oxopyridin-3-yl)-(4-methylphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(S)-(1-ethyl-2-hydroxy-4-keto-6-methyl-3-pyridyl)-(p-tolyl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4/c1-5-26-17(4)15-19(27)20(22(26)28)21(18-9-7-16(3)8-10-18)24-11-13-25(14-12-24)23(29)30-6-2/h7-10,15,21,28H,5-6,11-14H2,1-4H3/p+1/t21-/m0/s1