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

Systemtic Name: 2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[(2R)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazin-1-iumyl]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C25H30N5O3+ MolecularWeight: 448.5374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCNC(=O)[C@H]2C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H29N5O3/c1-16-10-11-21(33-4)20(14-16)27-22(31)15-29-13-12-26-25(32)24(29)23-17(2)28-30(18(23)3)19-8-6-5-7-9-19/h5-11,14,24H,12-13,15H2,1-4H3,(H,26,32)(H,27,31)/p+1/t24-/m1/s1