1-[3-methyl-2,4-bis(oxidanyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[3-methyl-2,4-bis(oxidanyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(2,4-dihydroxy-3-methyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(2,4-dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(2,4-dihydroxy-3-methyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC(=C1O)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/p+1