[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-[2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C25H35N5+2 MolecularWeight: 405.5789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+]CCN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+]CCN4CC[NH+](CC4)C

InChI

InChI=1S/C25H33N5/c1-20-9-10-21(2)24(17-20)30-19-23(25(27-30)22-7-5-4-6-8-22)18-26-11-12-29-15-13-28(3)14-16-29/h4-10,17,19,26H,11-16,18H2,1-3H3/p+2