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

Systemtic Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(5S)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C18H22N3OS2+ MolecularWeight: 360.51678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2[C@@H](CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C18H21N3OS2/c22-18(13-20-8-2-1-3-9-20)21-15(17-7-5-11-24-17)12-14(19-21)16-6-4-10-23-16/h4-7,10-11,15H,1-3,8-9,12-13H2/p+1/t15-/m0/s1