2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-ium-1-yl]-N-(4-morpholinophenyl)acetamide CAS Name: 2-[(2R)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazin-1-iumyl]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazin-1-ium-1-yl]-N-(4-morpholinophenyl)acetamide Formula: C27H33N6O3+ MolecularWeight: 489.58932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCC[NH+]3CC(=O)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=O)NCC[NH+]3CC(=O)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C27H32N6O3/c1-19-25(20(2)33(30-19)23-6-4-3-5-7-23)26-27(35)28-12-13-32(26)18-24(34)29-21-8-10-22(11-9-21)31-14-16-36-17-15-31/h3-11,26H,12-18H2,1-2H3,(H,28,35)(H,29,34)/p+1/t26-/m1/s1