1-[3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c1-15(23)16-3-8-20(25-2)17(13-16)14-21-9-11-22(12-10-21)18-4-6-19(24)7-5-18/h3-8,13,24H,9-12,14H2,1-2H3/p+1