2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-1-[4-(2-oxidanylidene-2-piperidin-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-piperidin-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-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(5-methyl-2-thiophen-2-yl-4-oxazolyl)-1-[4-[2-oxo-2-(1-piperidinyl)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-piperidin-1-ylethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]ethanone Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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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)N4CCCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C21H28N4O3S/c1-16-17(22-21(28-16)18-6-5-13-29-18)14-19(26)25-11-9-23(10-12-25)15-20(27)24-7-3-2-4-8-24/h5-6,13H,2-4,7-12,14-15H2,1H3/p+1