cyclobutyl-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: cyclobutyl-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone Openeye Name: cyclobutyl-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)-1-piperidyl]methanone CAS Name: cyclobutyl-[(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazin-4-iumyl)-1-piperidinyl]methanone IUPAC Name: cyclobutyl-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone Traditional Name: cyclobutyl-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidino]methanone Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCC(C(C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC(C1)C(=O)N2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H33N3O2/c26-21-17-25(22(27)19-7-4-8-19)12-10-20(21)24-15-13-23(14-16-24)11-9-18-5-2-1-3-6-18/h1-3,5-6,19-21,26H,4,7-17H2/p+1/t20-,21-/m1/s1