1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone CAS Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone Formula: C23H26N3OS2+ MolecularWeight: 424.60204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N3OS2/c1-3-17(4-2)18-9-11-25(12-10-18)16-23(27)26-20(22-8-6-14-29-22)15-19(24-26)21-7-5-13-28-21/h5-14,17,20H,3-4,15-16H2,1-2H3/q+1/t20-/m1/s1