(1R)-1-(2-bromophenyl)-5-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-phenyl-pent-3-yn-1-ol

Systemtic Name: (1R)-1-(2-bromophenyl)-5-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-phenyl-pent-3-yn-1-ol Openeye Name: (1R)-1-(2-bromophenyl)-5-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-phenyl-pent-3-yn-1-ol CAS Name: (1R)-1-(2-bromophenyl)-5-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-phenyl-3-pentyn-1-ol IUPAC Name: (1R)-1-(2-bromophenyl)-5-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-phenylpent-3-yn-1-ol Traditional Name: (1R)-1-(2-bromophenyl)-5-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-phenyl-pent-3-yn-1-ol Formula: C27H27BrN3O3+ MolecularWeight: 521.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#CCC(C2=CC=CC=C2)(C3=CC=CC=C3Br)O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC#CC[C@@](C2=CC=CC=C2)(C3=CC=CC=C3Br)O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26BrN3O3/c28-26-11-5-4-10-25(26)27(32,22-8-2-1-3-9-22)16-6-7-17-29-18-20-30(21-19-29)23-12-14-24(15-13-23)31(33)34/h1-5,8-15,32H,16-21H2/p+1/t27-/m1/s1