(2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Formula: C25H28ClN2O2+ MolecularWeight: 423.95502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H27ClN2O2/c26-22-7-4-8-23(17-22)28-15-13-27(14-16-28)18-24(29)19-30-25-11-9-21(10-12-25)20-5-2-1-3-6-20/h1-12,17,24,29H,13-16,18-19H2/p+1/t24-/m0/s1