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

Systemtic Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide CAS Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-ethyl-N-[2-(1-pyrazolyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide Traditional Name: 2-[(2R)-1-(3,5-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide Formula: C22H32N5O4+ MolecularWeight: 430.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C=CC=N1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCN(CCN1C=CC=N1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H31N5O4/c1-4-25(10-11-27-8-5-6-24-27)21(28)15-20-22(29)23-7-9-26(20)16-17-12-18(30-2)14-19(13-17)31-3/h5-6,8,12-14,20H,4,7,9-11,15-16H2,1-3H3,(H,23,29)/p+1/t20-/m1/s1