furan-2-yl-[4-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]piperazin-4-ium-1-yl]methanone Openeye Name: 2-furyl-[4-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-furanyl-[4-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-1-piperazin-4-iumyl]methanone IUPAC Name: furan-2-yl-[4-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-4-ium-1-yl]methanone Traditional Name: 2-furyl-[4-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-4-ium-1-yl]methanone Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O)C(=O)C4=CC=CO4

InChI

InChI=1S/C24H26N2O4/c27-21(17-25-12-14-26(15-13-25)24(28)23-7-4-16-29-23)18-30-22-10-8-20(9-11-22)19-5-2-1-3-6-19/h1-11,16,21,27H,12-15,17-18H2/p+1/t21-/m0/s1