1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-2-(2-thienyl)ethanone Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C16H23N3O2S/c20-15(12-14-4-3-11-22-14)19-9-7-17(8-10-19)13-16(21)18-5-1-2-6-18/h3-4,11H,1-2,5-10,12-13H2/p+1