methanesulfonic acid; 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one

Systemtic Name: methanesulfonic acid; 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one Openeye Name: methanesulfonic acid; 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one CAS Name: methanesulfonic acid; 7-(4-methyl-1-piperazinyl)-3H-1,3-benzoxazol-2-one IUPAC Name: methanesulfonic acid; 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one Traditional Name: mesylic acid; 7-(4-methylpiperazino)-3H-1,3-benzoxazol-2-one Formula: C13H19N3O5S MolecularWeight: 329.37206

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC3=C2OC(=O)N3.CS(=O)(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC3=C2OC(=O)N3.CS(=O)(=O)O

InChI

InChI=1S/C12H15N3O2.CH4O3S/c1-14-5-7-15(8-6-14)10-4-2-3-9-11(10)17-12(16)13-9;1-5(2,3)4/h2-4H,5-8H2,1H3,(H,13,16);1H3,(H,2,3,4)