2-phenoxy-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-phenoxy-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-phenoxy-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-phenoxy-1-[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-phenoxy-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-phenoxy-1-[4-(3,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]ethanone Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O5/c1-26-19-13-17(14-20(27-2)22(19)28-3)15-23-9-11-24(12-10-23)21(25)16-29-18-7-5-4-6-8-18/h4-8,13-14H,9-12,15-16H2,1-3H3/p+1