7-(4-methylpiperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one

Systemtic Name: 7-(4-methylpiperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one Openeye Name: 7-(4-methylpiperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one CAS Name: 7-(4-methyl-1-piperazin-4-iumyl)-3H-1,3-benzoxazol-2-one IUPAC Name: 7-(4-methylpiperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one Traditional Name: 7-(4-methylpiperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one Formula: C12H16N3O2+ MolecularWeight: 234.27434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC3=C2OC(=O)N3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC3=C2OC(=O)N3

InChI

InChI=1S/C12H15N3O2/c1-14-5-7-15(8-6-14)10-4-2-3-9-11(10)17-12(16)13-9/h2-4H,5-8H2,1H3,(H,13,16)/p+1