N-cyclopropyl-2-[4-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[2-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C22H28N5O2S2+ MolecularWeight: 458.62002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)N3[C@H](CC(=N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C22H27N5O2S2/c28-21(23-16-5-6-16)14-25-7-9-26(10-8-25)15-22(29)27-18(20-4-2-12-31-20)13-17(24-27)19-3-1-11-30-19/h1-4,11-12,16,18H,5-10,13-15H2,(H,23,28)/p+1/t18-/m1/s1