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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(2-methylphenyl)-3,5-di(propan-2-yl)pyrazol-4-yl]methanone Openeye Name: [3,5-diisopropyl-1-(o-tolyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(2-methylphenyl)-3,5-di(propan-2-yl)-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(2-methylphenyl)-3,5-di(propan-2-yl)pyrazol-4-yl]methanone Traditional Name: [3,5-diisopropyl-1-(o-tolyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C23H35N4O+ MolecularWeight: 383.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C(C)C)C3=CC=CC=C3C)C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C(C)C)C3=CC=CC=C3C)C(C)C

InChI

InChI=1S/C23H34N4O/c1-7-25-12-14-26(15-13-25)23(28)20-21(16(2)3)24-27(22(20)17(4)5)19-11-9-8-10-18(19)6/h8-11,16-17H,7,12-15H2,1-6H3/p+1