(2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C24H27Cl2N4O2+ MolecularWeight: 474.40278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O)C4=NC=CC=N4

InChI

InChI=1S/C24H26Cl2N4O2/c25-20-6-2-18(3-7-20)23(19-4-8-21(26)9-5-19)32-17-22(31)16-29-12-14-30(15-13-29)24-27-10-1-11-28-24/h1-11,22-23,31H,12-17H2/p+1/t22-/m0/s1