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

Systemtic Name: 4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C13H16N3O2S+ MolecularWeight: 278.35004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C13H15N3O2S/c1-9-10(7-16-5-4-14-12(17)8-16)15-13(18-9)11-3-2-6-19-11/h2-3,6H,4-5,7-8H2,1H3,(H,14,17)/p+1