2-[4-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(5-chloro-1-isobutyl-3-methyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(5-chloro-1-isobutyl-3-methyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C19H31ClN5O3+ MolecularWeight: 412.93414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3)Cl)CC(C)C

InChI

InChI=1S/C19H30ClN5O3/c1-14(2)12-25-18(20)17(15(3)21-25)19(27)24-6-4-22(5-7-24)13-16(26)23-8-10-28-11-9-23/h14H,4-13H2,1-3H3/p+1