(5-ethyl-2-methyl-pyrazol-3-yl)-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: (5-ethyl-2-methyl-pyrazol-3-yl)-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone Openeye Name: (5-ethyl-2-methyl-pyrazol-3-yl)-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)-1-piperidyl]methanone CAS Name: (5-ethyl-2-methyl-3-pyrazolyl)-[(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazin-4-iumyl)-1-piperidinyl]methanone IUPAC Name: (5-ethyl-2-methylpyrazol-3-yl)-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone Traditional Name: (5-ethyl-2-methyl-pyrazol-3-yl)-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidino]methanone Formula: C24H36N5O2+ MolecularWeight: 426.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)N2CCC(C(C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)N2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C24H35N5O2/c1-3-20-17-22(26(2)25-20)24(31)29-12-10-21(23(30)18-29)28-15-13-27(14-16-28)11-9-19-7-5-4-6-8-19/h4-8,17,21,23,30H,3,9-16,18H2,1-2H3/p+1/t21-,23-/m1/s1