(4-ethylpiperazin-4-ium-1-yl)-[3-methyl-1-(4-methylphenyl)-5-propan-2-yl-pyrazol-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methyl-1-(4-methylphenyl)-5-propan-2-yl-pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[5-isopropyl-3-methyl-1-(p-tolyl)pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[3-methyl-1-(4-methylphenyl)-5-propan-2-yl-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[5-isopropyl-3-methyl-1-(p-tolyl)pyrazol-4-yl]methanone Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)C)C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)C)C(C)C

InChI

InChI=1S/C21H30N4O/c1-6-23-11-13-24(14-12-23)21(26)19-17(5)22-25(20(19)15(2)3)18-9-7-16(4)8-10-18/h7-10,15H,6,11-14H2,1-5H3/p+1