1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone CAS Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone Formula: C21H22N3OS2+ MolecularWeight: 396.54888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C21H22N3OS2/c1-3-16-9-8-15(2)23(13-16)14-21(25)24-18(20-7-5-11-27-20)12-17(22-24)19-6-4-10-26-19/h4-11,13,18H,3,12,14H2,1-2H3/q+1/t18-/m1/s1