cyclopentyl-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: cyclopentyl-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: [2-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-cyclopentyl-dimethyl-ammonium CAS Name: cyclopentyl-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-dimethylammonium IUPAC Name: cyclopentyl-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-dimethylazanium Traditional Name: [2-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-cyclopentyl-dimethyl-ammonium Formula: C20H26N3OS2+ MolecularWeight: 388.56994

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CS3)C4CCCC4

Isomeric SMILES

C[N+](C)(CC(=O)N1[C@H](CC(=N1)C2=CC=CS2)C3=CC=CS3)C4CCCC4

InChI

InChI=1S/C20H26N3OS2/c1-23(2,15-7-3-4-8-15)14-20(24)22-17(19-10-6-12-26-19)13-16(21-22)18-9-5-11-25-18/h5-6,9-12,15,17H,3-4,7-8,13-14H2,1-2H3/q+1/t17-/m1/s1