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

Systemtic Name: (2S)-1-naphthalen-1-yloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(1-naphthyloxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(1-naphthalenyloxy)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-naphthalen-1-yloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(1-naphthoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C22H27N3O2+2 MolecularWeight: 365.46868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=CC3=CC=CC=C32)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H25N3O2/c26-19(17-27-21-9-5-7-18-6-1-2-8-20(18)21)16-24-12-14-25(15-13-24)22-10-3-4-11-23-22/h1-11,19,26H,12-17H2/p+2/t19-/m0/s1