(2S)-1-naphthalen-2-yloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: (2S)-1-naphthalen-2-yloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2S)-1-(2-naphthyloxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2S)-1-(2-naphthalenyloxy)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-naphthalen-2-yloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2S)-1-(2-naphthoxy)-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C22H26N3O2+ MolecularWeight: 364.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC3=CC=CC=C3C=C2)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1C[C@@H](COC2=CC3=CC=CC=C3C=C2)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H25N3O2/c26-20(17-27-21-9-8-18-5-1-2-6-19(18)15-21)16-24-11-13-25(14-12-24)22-7-3-4-10-23-22/h1-10,15,20,26H,11-14,16-17H2/p+1/t20-/m0/s1