(2S)-1-[4-[(2S)-2-oxidanyl-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-[4-[(2S)-2-oxidanyl-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol Openeye Name: (2S)-1-[4-[(2S)-2-hydroxy-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-[(2S)-2-hydroxy-3-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]-2-propanol IUPAC Name: (2S)-1-[4-[(2S)-2-hydroxy-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol Traditional Name: (2S)-1-[4-[(2S)-2-hydroxy-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol Formula: C36H54N4O6+4 MolecularWeight: 638.83716

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCOC2=CC=CC=C2)CC(COC3=CC=C(C=C3)OCC(C[NH+]4CC[NH+](CC4)CCOC5=CC=CC=C5)O)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CCOC2=CC=CC=C2)C[C@@H](COC3=CC=C(C=C3)OC[C@H](C[NH+]4CC[NH+](CC4)CCOC5=CC=CC=C5)O)O

InChI

InChI=1S/C36H50N4O6/c41-31(27-39-19-15-37(16-20-39)23-25-43-33-7-3-1-4-8-33)29-45-35-11-13-36(14-12-35)46-30-32(42)28-40-21-17-38(18-22-40)24-26-44-34-9-5-2-6-10-34/h1-14,31-32,41-42H,15-30H2/p+4/t31-,32-/m0/s1