1-(furan-2-yl)-2-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]ethane-1,2-dione

Systemtic Name: 1-(furan-2-yl)-2-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]ethane-1,2-dione Openeye Name: 1-(2-furyl)-2-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)-1-piperidyl]ethane-1,2-dione CAS Name: 1-(2-furanyl)-2-[(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazin-4-iumyl)-1-piperidinyl]ethane-1,2-dione IUPAC Name: 1-(furan-2-yl)-2-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]ethane-1,2-dione Traditional Name: 1-(2-furyl)-2-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidino]ethane-1,2-dione Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1N2CC[NH+](CC2)CCC3=CC=CC=C3)O)C(=O)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(C[C@H]([C@@H]1N2CC[NH+](CC2)CCC3=CC=CC=C3)O)C(=O)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H29N3O4/c27-20-17-26(23(29)22(28)21-7-4-16-30-21)11-9-19(20)25-14-12-24(13-15-25)10-8-18-5-2-1-3-6-18/h1-7,16,19-20,27H,8-15,17H2/p+1/t19-,20-/m1/s1