1-(3-bromanylcarbazol-9-yl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-ol dichloride

Systemtic Name: 1-(3-bromanylcarbazol-9-yl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-ol dichloride Openeye Name: 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(3-bromocarbazol-9-yl)propan-2-ol dichloride CAS Name: 1-(3-bromo-9-carbazolyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-2-propanol dichloride IUPAC Name: 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(3-bromocarbazol-9-yl)propan-2-ol dichloride Traditional Name: 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(3-bromocarbazol-9-yl)propan-2-ol dichloride Formula: C26H30BrCl2N3O MolecularWeight: 551.3459

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(CN3C4=C(C=C(C=C4)Br)C5=CC=CC=C53)O.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(CN3C4=C(C=C(C=C4)Br)C5=CC=CC=C53)O.[Cl-].[Cl-]

InChI

InChI=1S/C26H28BrN3O.2ClH/c27-21-10-11-26-24(16-21)23-8-4-5-9-25(23)30(26)19-22(31)18-29-14-12-28(13-15-29)17-20-6-2-1-3-7-20;;/h1-11,16,22,31H,12-15,17-19H2;2*1H