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

Systemtic Name: 2-methyl-3-oxidanyl-6-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]phenolate Openeye Name: 3-hydroxy-2-methyl-6-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]phenolate CAS Name: 3-hydroxy-2-methyl-6-[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]phenolate IUPAC Name: 3-hydroxy-2-methyl-6-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]phenolate Traditional Name: 3-hydroxy-2-methyl-6-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]phenolate Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3/c1-14-17(22)8-7-16(19(14)24)18(23)13-20-9-11-21(12-10-20)15-5-3-2-4-6-15/h2-8,22,24H,9-13H2,1H3