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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C21H22N3OS2/c1-2-5-16-8-10-23(11-9-16)15-21(25)24-18(20-7-4-13-27-20)14-17(22-24)19-6-3-12-26-19/h3-4,6-13,18H,2,5,14-15H2,1H3/q+1/t18-/m1/s1