1-(3-bromanylcarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-oxidanyl-propyl)piperazine-1,4-diium-1-yl]propan-2-ol; ethanedioate

Systemtic Name: 1-(3-bromanylcarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-oxidanyl-propyl)piperazine-1,4-diium-1-yl]propan-2-ol; ethanedioate Openeye Name: 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxy-propyl)piperazine-1,4-diium-1-yl]propan-2-ol; oxalate CAS Name: 1-(3-bromo-9-carbazolyl)-3-[4-[3-(9-carbazolyl)-2-hydroxypropyl]-1-piperazine-1,4-diiumyl]-2-propanol; oxalate IUPAC Name: 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1,4-diium-1-yl]propan-2-ol; oxalate Traditional Name: 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxy-propyl)piperazine-1,4-diium-1-yl]propan-2-ol; oxalate Formula: C36H37BrN4O6 MolecularWeight: 701.60618

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC(CN2C3=C(C=C(C=C3)Br)C4=CC=CC=C42)O)CC(CN5C6=CC=CC=C6C7=CC=CC=C75)O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC(CN2C3=C(C=C(C=C3)Br)C4=CC=CC=C42)O)CC(CN5C6=CC=CC=C6C7=CC=CC=C75)O.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C34H35BrN4O2.C2H2O4/c35-24-13-14-34-30(19-24)29-9-3-6-12-33(29)39(34)23-26(41)21-37-17-15-36(16-18-37)20-25(40)22-38-31-10-4-1-7-27(31)28-8-2-5-11-32(28)38;3-1(4)2(5)6/h1-14,19,25-26,40-41H,15-18,20-23H2;(H,3,4)(H,5,6)