ethyl 4-[2-[3-methyl-2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-methyl-2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(2,4-dihydroxy-3-methyl-phenyl)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(2,4-dihydroxy-3-methylphenyl)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,4-dihydroxy-3-methylphenyl)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(2,4-dihydroxy-3-methyl-phenyl)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H23N2O5+ MolecularWeight: 323.36422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)C2=C(C(=C(C=C2)O)C)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)C2=C(C(=C(C=C2)O)C)O

InChI

InChI=1S/C16H22N2O5/c1-3-23-16(22)18-8-6-17(7-9-18)10-14(20)12-4-5-13(19)11(2)15(12)21/h4-5,19,21H,3,6-10H2,1-2H3/p+1