2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[5-methyl-2-(2-thienyl)oxazol-4-yl]-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(5-methyl-2-thiophen-2-yl-4-oxazolyl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]ethanone Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C20H26N4O3S/c1-15-16(21-20(27-15)17-5-4-12-28-17)13-18(25)24-10-8-22(9-11-24)14-19(26)23-6-2-3-7-23/h4-5,12H,2-3,6-11,13-14H2,1H3/p+1