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

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(2-phenylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(2-phenylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-(2-phenylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(2-phenylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(2-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=CC=C2C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=CC=C2C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H27ClN2O2/c26-21-9-6-10-22(17-21)28-15-13-27(14-16-28)18-23(29)19-30-25-12-5-4-11-24(25)20-7-2-1-3-8-20/h1-12,17,23,29H,13-16,18-19H2/p+1/t23-/m0/s1