(2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1C[C@H](COC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H23N3O4/c23-15(13-24-16-4-5-17-18(11-16)26-14-25-17)12-21-7-9-22(10-8-21)19-3-1-2-6-20-19/h1-6,11,15,23H,7-10,12-14H2/p+1/t15-/m1/s1