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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methyl-1-(3-methylphenyl)-5-propan-2-yl-pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[5-isopropyl-3-methyl-1-(m-tolyl)pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[3-methyl-1-(3-methylphenyl)-5-propan-2-yl-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methyl-1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[5-isopropyl-3-methyl-1-(m-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=CC(=C3)C)C(C)C

Isomeric SMILES

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

InChI

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