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

Systemtic Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C26H29Cl2N2O2+ MolecularWeight: 472.42666

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H28Cl2N2O2/c27-22-10-6-20(7-11-22)26(21-8-12-23(28)13-9-21)32-19-25(31)18-29-14-16-30(17-15-29)24-4-2-1-3-5-24/h1-13,25-26,31H,14-19H2/p+1/t25-/m0/s1