3-[1-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one CAS Name: 3-[1-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-piperidin-1-iumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Formula: C25H26N5O2S2+ MolecularWeight: 492.63624

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)N4C(CC(=N4)C5=CC=CS5)C6=CC=CS6

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)N4[C@H](CC(=N4)C5=CC=CS5)C6=CC=CS6

InChI

InChI=1S/C25H25N5O2S2/c31-24(30-21(23-8-4-14-34-23)15-19(27-30)22-7-3-13-33-22)16-28-11-9-17(10-12-28)29-20-6-2-1-5-18(20)26-25(29)32/h1-8,13-14,17,21H,9-12,15-16H2,(H,26,32)/p+1/t21-/m1/s1