1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)-1-piperidyl]-2-(2-thienyl)ethanone CAS Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazin-4-iumyl)-1-piperidinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidino]-2-(2-thienyl)ethanone Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1N2CC[NH+](CC2)CCC3=CC=CC=C3)O)C(=O)CC4=CC=CS4

Isomeric SMILES

C1CN(C[C@H]([C@@H]1N2CC[NH+](CC2)CCC3=CC=CC=C3)O)C(=O)CC4=CC=CS4

InChI

InChI=1S/C23H31N3O2S/c27-22-18-26(23(28)17-20-7-4-16-29-20)11-9-21(22)25-14-12-24(13-15-25)10-8-19-5-2-1-3-6-19/h1-7,16,21-22,27H,8-15,17-18H2/p+1/t21-,22-/m1/s1