1-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone

Systemtic Name: 1-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone Openeye Name: 1-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone CAS Name: 1-[4-[(2,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(4-phenylphenoxy)ethanone IUPAC Name: 1-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone Traditional Name: 1-[4-(2,4-dimethoxybenzyl)piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4)OC

InChI

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