1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-vinylbenzimidazol-1-ium-1-yl)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(3-ethenyl-1-benzimidazol-1-iumyl)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-(3-vinylbenzimidazol-1-ium-1-yl)ethanone Formula: C25H24N3O3+ MolecularWeight: 414.47636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)C[N+]4=CN(C5=CC=CC=C54)C=C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)C[N+]4=CN(C5=CC=CC=C54)C=C

InChI

InChI=1S/C25H24N3O3/c1-4-26-15-27(22-8-6-5-7-21(22)26)14-23(29)20-11-17(2)28(18(20)3)13-19-9-10-24-25(12-19)31-16-30-24/h4-12,15H,1,13-14,16H2,2-3H3/q+1