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

Systemtic Name: 1-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(5-thiophen-2-yl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=NOC(=C2)C3=CC=CS3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=NOC(=C2)C3=CC=CS3

InChI

InChI=1S/C14H17N3O2S/c1-11(18)17-6-4-16(5-7-17)10-12-9-13(19-15-12)14-3-2-8-20-14/h2-3,8-9H,4-7,10H2,1H3/p+1