6-[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethanoyl]-2-methyl-3-oxidanyl-phenolate

Systemtic Name: 6-[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethanoyl]-2-methyl-3-oxidanyl-phenolate Openeye Name: 6-[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]-3-hydroxy-2-methyl-phenolate CAS Name: 6-[2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-1-oxoethyl]-3-hydroxy-2-methylphenolate IUPAC Name: 6-[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]-3-hydroxy-2-methylphenolate Traditional Name: 6-[2-(4-carbethoxypiperazin-1-ium-1-yl)acetyl]-3-hydroxy-2-methyl-phenolate Formula: C16H22N2O5 MolecularWeight: 322.35628

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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