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

Systemtic Name: 1-[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-phenylethanone IUPAC Name: 1-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenylethanone Traditional Name: 1-[4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4/c1-26-18-12-17(13-19(27-2)21(18)25)15-22-8-10-23(11-9-22)20(24)14-16-6-4-3-5-7-16/h3-7,12-13,25H,8-11,14-15H2,1-2H3/p+1