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

Systemtic Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-phenylphenoxy)ethanone Openeye Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-phenylphenoxy)ethanone CAS Name: 1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(2-phenylphenoxy)ethanone IUPAC Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-phenylphenoxy)ethanone Traditional Name: 1-(4-p-anisylpiperazin-4-ium-1-yl)-2-(2-phenylphenoxy)ethanone Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c1-30-23-13-11-21(12-14-23)19-27-15-17-28(18-16-27)26(29)20-31-25-10-6-5-9-24(25)22-7-3-2-4-8-22/h2-14H,15-20H2,1H3/p+1