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

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-(3-vinylbenzimidazol-1-ium-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-(3-ethenyl-1-benzimidazol-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-(3-vinylbenzimidazol-1-ium-1-yl)ethanone Formula: C22H22N3OS+ MolecularWeight: 376.49458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[N+]3=CN(C4=CC=CC=C43)C=C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[N+]3=CN(C4=CC=CC=C43)C=C

InChI

InChI=1S/C22H22N3OS/c1-4-23-15-24(21-10-6-5-9-20(21)23)14-22(26)19-12-16(2)25(17(19)3)13-18-8-7-11-27-18/h4-12,15H,1,13-14H2,2-3H3/q+1