1-(3-bromanylcarbazol-9-yl)-3-piperazine-1,4-diium-1-yl-propan-2-ol; ethanedioate

Systemtic Name: 1-(3-bromanylcarbazol-9-yl)-3-piperazine-1,4-diium-1-yl-propan-2-ol; ethanedioate Openeye Name: 1-(3-bromocarbazol-9-yl)-3-piperazine-1,4-diium-1-yl-propan-2-ol; oxalate CAS Name: 1-(3-bromo-9-carbazolyl)-3-(1-piperazine-1,4-diiumyl)-2-propanol; oxalate IUPAC Name: 1-(3-bromocarbazol-9-yl)-3-piperazine-1,4-diium-1-ylpropan-2-ol; oxalate Traditional Name: 1-(3-bromocarbazol-9-yl)-3-piperazine-1,4-diium-1-yl-propan-2-ol; oxalate Formula: C21H24BrN3O5 MolecularWeight: 478.33636

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC(CN2C3=C(C=C(C=C3)Br)C4=CC=CC=C42)O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CC(CN2C3=C(C=C(C=C3)Br)C4=CC=CC=C42)O.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C19H22BrN3O.C2H2O4/c20-14-5-6-19-17(11-14)16-3-1-2-4-18(16)23(19)13-15(24)12-22-9-7-21-8-10-22;3-1(4)2(5)6/h1-6,11,15,21,24H,7-10,12-13H2;(H,3,4)(H,5,6)