2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2,4,5-trimethoxybenzyl)acetamide Formula: C22H30N3O5+ MolecularWeight: 416.4907

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)OC)OC

InChI

InChI=1S/C22H29N3O5/c1-28-19-13-21(30-3)20(29-2)12-16(19)14-23-22(27)15-24-8-10-25(11-9-24)17-4-6-18(26)7-5-17/h4-7,12-13,26H,8-11,14-15H2,1-3H3,(H,23,27)/p+1