1-(1,3-benzodioxol-5-yl)-2-[2-(3-oxidanylpropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(3-oxidanylpropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Formula: C19H20N3O4+ MolecularWeight: 354.3798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4/c23-9-3-8-20-19-21-14-4-1-2-5-15(14)22(19)11-16(24)13-6-7-17-18(10-13)26-12-25-17/h1-2,4-7,10,23H,3,8-9,11-12H2,(H,20,21)/p+1