1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-(3-bromanylcarbazol-9-yl)propan-2-ol

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-(3-bromanylcarbazol-9-yl)propan-2-ol Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-(3-bromocarbazol-9-yl)propan-2-ol CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-3-(3-bromo-9-carbazolyl)-2-propanol IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-(3-bromocarbazol-9-yl)propan-2-ol Traditional Name: 1-(3-bromocarbazol-9-yl)-3-(4-piperonylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C27H30BrN3O3+2 MolecularWeight: 524.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(CN4C5=C(C=C(C=C5)Br)C6=CC=CC=C64)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(CN4C5=C(C=C(C=C5)Br)C6=CC=CC=C64)O

InChI

InChI=1S/C27H28BrN3O3/c28-20-6-7-25-23(14-20)22-3-1-2-4-24(22)31(25)17-21(32)16-30-11-9-29(10-12-30)15-19-5-8-26-27(13-19)34-18-33-26/h1-8,13-14,21,32H,9-12,15-18H2/p+2