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

Systemtic Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C25H28Cl2N3O2+ MolecularWeight: 473.41472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1C[C@@H](COC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H27Cl2N3O2/c26-21-8-4-19(5-9-21)25(20-6-10-22(27)11-7-20)32-18-23(31)17-29-13-15-30(16-14-29)24-3-1-2-12-28-24/h1-12,23,25,31H,13-18H2/p+1/t23-/m0/s1