N-ethyl-2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)ethanamide

Systemtic Name: N-ethyl-2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)ethanamide Openeye Name: N-ethyl-2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide CAS Name: N-ethyl-2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-pyrazolyl)ethyl]acetamide IUPAC Name: N-ethyl-2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide Traditional Name: N-ethyl-2-[(2R)-3-keto-1-(4-methoxy-2,3-dimethyl-benzyl)piperazin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide Formula: C23H34N5O3+ MolecularWeight: 428.54776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O3/c1-5-26(13-14-28-11-6-9-25-28)22(29)15-20-23(30)24-10-12-27(20)16-19-7-8-21(31-4)18(3)17(19)2/h6-9,11,20H,5,10,12-16H2,1-4H3,(H,24,30)/p+1/t20-/m1/s1