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

Systemtic Name: 2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]-N-(2,4,5-trimethoxybenzyl)acetamide Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)OC)OC

InChI

InChI=1S/C22H30N4O4/c1-28-19-13-21(30-3)20(29-2)12-17(19)14-24-22(27)16-26-10-8-25(9-11-26)15-18-6-4-5-7-23-18/h4-7,12-13H,8-11,14-16H2,1-3H3,(H,24,27)/p+1