(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-3-piperonyloxy-propan-2-ol Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCC(C[N+]3=C(NC4=CC=CC=C43)NCCO)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC[C@H](C[N+]3=C(NC4=CC=CC=C43)NCCO)O

InChI

InChI=1S/C20H23N3O5/c24-8-7-21-20-22-16-3-1-2-4-17(16)23(20)10-15(25)12-26-11-14-5-6-18-19(9-14)28-13-27-18/h1-6,9,15,24-25H,7-8,10-13H2,(H,21,22)/p+1/t15-/m0/s1