(2S)-1-(4-chloranylnaphthalen-1-yl)oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-chloranylnaphthalen-1-yl)oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[(4-chloro-1-naphthyl)oxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[(4-chloro-1-naphthalenyl)oxy]-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-chloronaphthalen-1-yl)oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chloro-1-naphthoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C22H26ClN3O2+2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C3=CC=CC=C32)Cl)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=C(C3=CC=CC=C32)Cl)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H24ClN3O2/c23-20-8-9-21(19-6-2-1-5-18(19)20)28-16-17(27)15-25-11-13-26(14-12-25)22-7-3-4-10-24-22/h1-10,17,27H,11-16H2/p+2/t17-/m0/s1