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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3)OC)OC

InChI

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