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

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-phenylmethoxy-propan-2-ol Openeye Name: (2S)-1-benzyloxy-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-phenylmethoxy-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-phenylmethoxypropan-2-ol Traditional Name: (2S)-1-benzoxy-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C20H26ClN2O2+ MolecularWeight: 361.88564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC=CC=C2)O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COCC2=CC=CC=C2)O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H25ClN2O2/c21-18-7-4-8-19(13-18)23-11-9-22(10-12-23)14-20(24)16-25-15-17-5-2-1-3-6-17/h1-8,13,20,24H,9-12,14-16H2/p+1/t20-/m0/s1