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

Systemtic Name: N-cycloheptyl-2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cycloheptyl-2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-ium-1-yl]acetamide CAS Name: N-cycloheptyl-2-[(2R)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cycloheptyl-2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-ium-1-yl]acetamide Traditional Name: N-cycloheptyl-2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazin-1-ium-1-yl]acetamide Formula: C24H34N5O2+ MolecularWeight: 424.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCC[NH+]3CC(=O)NC4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=O)NCC[NH+]3CC(=O)NC4CCCCCC4

InChI

InChI=1S/C24H33N5O2/c1-17-22(18(2)29(27-17)20-12-8-5-9-13-20)23-24(31)25-14-15-28(23)16-21(30)26-19-10-6-3-4-7-11-19/h5,8-9,12-13,19,23H,3-4,6-7,10-11,14-16H2,1-2H3,(H,25,31)(H,26,30)/p+1/t23-/m1/s1