2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)acetamide CAS Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(2,4-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)acetamide Formula: C20H28N5O4+ MolecularWeight: 402.46742

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NN1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CN(CC1=CC=NN1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C20H27N5O4/c1-24(13-15-6-7-22-23-15)19(26)11-17-20(27)21-8-9-25(17)12-14-4-5-16(28-2)10-18(14)29-3/h4-7,10,17H,8-9,11-13H2,1-3H3,(H,21,27)(H,22,23)/p+1/t17-/m1/s1