N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-18-22(23(30)28(25(18)2)20-11-7-4-8-12-20)24-21(29)17-26-13-15-27(16-14-26)19-9-5-3-6-10-19/h3-12H,13-17H2,1-2H3,(H,24,29)/p+1