3-[4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: 3-[4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide Openeye Name: 3-[4-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide CAS Name: 3-[4-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: 3-[4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide Traditional Name: 3-[4-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propionamide Formula: C25H32N5O+ MolecularWeight: 418.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+]4CCN(CC4)CCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+]4CCN(CC4)CCC(=O)N

InChI

InChI=1S/C25H31N5O/c1-19-6-8-23(9-7-19)30-18-22(25(27-30)21-5-3-4-20(2)16-21)17-29-14-12-28(13-15-29)11-10-24(26)31/h3-9,16,18H,10-15,17H2,1-2H3,(H2,26,31)/p+1