1,3-benzodioxol-5-ylmethylidene-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethylidene-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethylene-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethylidene-[1-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-benzimidazolyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethylidene-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanium Traditional Name: piperonylidene-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]ammonium Formula: C21H24N4O2+2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C3=CC=CC=C3N=C2[NH+]=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC[NH+](C1)CCN2C3=CC=CC=C3N=C2[NH+]=CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O2/c1-2-6-18-17(5-1)23-21(25(18)12-11-24-9-3-4-10-24)22-14-16-7-8-19-20(13-16)27-15-26-19/h1-2,5-8,13-14H,3-4,9-12,15H2/p+2