2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)acetamide CAS Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(4-pyrimidinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]-N-methyl-N-(4-pyrimidylmethyl)acetamide Formula: C21H28N5O4+ MolecularWeight: 414.47812

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=NC=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CN(CC1=NC=NC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H27N5O4/c1-25(13-16-7-8-22-14-24-16)19(27)11-17-21(28)23-9-10-26(17)12-15-5-4-6-18(29-2)20(15)30-3/h4-8,14,17H,9-13H2,1-3H3,(H,23,28)/p+1/t17-/m1/s1