N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C29H32N5O2+ MolecularWeight: 482.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O2/c1-22-27(29(36)34(31(22)2)26-11-7-4-8-12-26)30-28(35)24-15-13-23(14-16-24)21-32-17-19-33(20-18-32)25-9-5-3-6-10-25/h3-16H,17-21H2,1-2H3,(H,30,35)/p+1