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

Systemtic Name: N-(cyclopentylcarbamoyl)-2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(cyclopentylcarbamoyl)-2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-ium-1-yl]acetamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[(2R)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclopentylcarbamoyl)-2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-ium-1-yl]acetamide Traditional Name: N-(cyclopentylcarbamoyl)-2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazin-1-ium-1-yl]acetamide Formula: C23H31N6O3+ MolecularWeight: 439.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCC[NH+]3CC(=O)NC(=O)NC4CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=O)NCC[NH+]3CC(=O)NC(=O)NC4CCCC4

InChI

InChI=1S/C23H30N6O3/c1-15-20(16(2)29(27-15)18-10-4-3-5-11-18)21-22(31)24-12-13-28(21)14-19(30)26-23(32)25-17-8-6-7-9-17/h3-5,10-11,17,21H,6-9,12-14H2,1-2H3,(H,24,31)(H2,25,26,30,32)/p+1/t21-/m1/s1