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

Systemtic Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide CAS Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-ethyl-N-[2-(1-pyrazolyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide Traditional Name: N-ethyl-2-[(2R)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]-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=C(C(=CC=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4/c1-4-25(13-14-27-11-6-9-24-27)20(28)15-18-22(29)23-10-12-26(18)16-17-7-5-8-19(30-2)21(17)31-3/h5-9,11,18H,4,10,12-16H2,1-3H3,(H,23,29)/p+1/t18-/m1/s1