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

Systemtic Name: 6-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]-2-methyl-3-oxidanyl-phenolate Openeye Name: 3-hydroxy-6-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]-2-methyl-phenolate CAS Name: 3-hydroxy-6-[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-methylphenolate IUPAC Name: 3-hydroxy-6-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]-2-methylphenolate Traditional Name: 3-hydroxy-6-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]-2-methyl-phenolate Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1[O-])C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CC1=C(C=CC(=C1[O-])C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C20H24N2O4/c1-14-18(23)8-7-17(20(14)25)19(24)13-21-9-11-22(12-10-21)15-3-5-16(26-2)6-4-15/h3-8,23,25H,9-13H2,1-2H3