1-[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4/c1-32-23-17-20(18-24(33-2)26(23)30)19-28-13-15-29(16-14-28)27(31)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17-18,25,30H,13-16,19H2,1-2H3/p+1