2-[2-(1,3-benzodioxol-5-ylmethylamino)benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-1-benzimidazolyl]ethyl-diethylammonium IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)benzimidazol-1-yl]ethyl-diethylazanium Traditional Name: diethyl-[2-[2-(piperonylamino)benzimidazol-1-yl]ethyl]ammonium Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O2/c1-3-24(4-2)11-12-25-18-8-6-5-7-17(18)23-21(25)22-14-16-9-10-19-20(13-16)27-15-26-19/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,22,23)/p+1