1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]pent-4-en-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)N1CCC(C(C1)O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

C=CCCC(=O)N1CC[C@H]([C@@H](C1)O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2/c1-2-3-9-22(27)25-13-11-20(21(26)18-25)24-16-14-23(15-17-24)12-10-19-7-5-4-6-8-19/h2,4-8,20-21,26H,1,3,9-18H2/p+1/t20-,21-/m1/s1