(2S)-1-(6-bromanylnaphthalen-2-yl)oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(6-bromanylnaphthalen-2-yl)oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2S)-1-[(6-bromo-2-naphthyl)oxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2S)-1-[(6-bromo-2-naphthalenyl)oxy]-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(6-bromonaphthalen-2-yl)oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2S)-1-(6-bromo-2-naphthoxy)-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C22H25BrN3O2+ MolecularWeight: 443.3568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC3=C(C=C2)C=C(C=C3)Br)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1C[C@@H](COC2=CC3=C(C=C2)C=C(C=C3)Br)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H24BrN3O2/c23-19-6-4-18-14-21(7-5-17(18)13-19)28-16-20(27)15-25-9-11-26(12-10-25)22-3-1-2-8-24-22/h1-8,13-14,20,27H,9-12,15-16H2/p+1/t20-/m0/s1