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

Systemtic Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(5S)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C17H20N3OS2+ MolecularWeight: 346.4902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N2[C@@H](CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C17H19N3OS2/c21-17(12-19-7-1-2-8-19)20-14(16-6-4-10-23-16)11-13(18-20)15-5-3-9-22-15/h3-6,9-10,14H,1-2,7-8,11-12H2/p+1/t14-/m0/s1