3-[1-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one CAS Name: 3-[1-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]-4-piperidin-1-iumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C25H28N4O2S/c1-17-14-21(18(2)28(17)15-20-6-5-13-32-20)24(30)16-27-11-9-19(10-12-27)29-23-8-4-3-7-22(23)26-25(29)31/h3-8,13-14,19H,9-12,15-16H2,1-2H3,(H,26,31)/p+1