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

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-naphthalen-2-yloxy-propan-2-ol Openeye Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(2-naphthyloxy)propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-(2-naphthalenyloxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-naphthalen-2-yloxypropan-2-ol Traditional Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(2-naphthoxy)propan-2-ol Formula: C23H26ClN2O2+ MolecularWeight: 397.91774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC3=CC=CC=C3C=C2)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC3=CC=CC=C3C=C2)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H25ClN2O2/c24-20-6-3-7-21(15-20)26-12-10-25(11-13-26)16-22(27)17-28-23-9-8-18-4-1-2-5-19(18)14-23/h1-9,14-15,22,27H,10-13,16-17H2/p+1/t22-/m0/s1