[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(3-isobutyl-1,5-dimethyl-pyrazol-4-yl)methanone CAS Name: [1,5-dimethyl-3-(2-methylpropyl)-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(3-isobutyl-1,5-dimethyl-pyrazol-4-yl)methanone Formula: C16H29N4O+ MolecularWeight: 293.42766

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2CC(C)C)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2CC(C)C)C)C

InChI

InChI=1S/C16H28N4O/c1-6-19-7-9-20(10-8-19)16(21)15-13(4)18(5)17-14(15)11-12(2)3/h12H,6-11H2,1-5H3/p+1