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

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O/c1-18-23(19(2)28(25-18)21-11-7-4-8-12-21)24-22(29)17-26-13-15-27(16-14-26)20-9-5-3-6-10-20/h3-12H,13-17H2,1-2H3,(H,24,29)/p+1