3-azanyl-8-piperazin-1-yl-chromen-2-one; methanesulfonic acid

Systemtic Name: 3-azanyl-8-piperazin-1-yl-chromen-2-one; methanesulfonic acid Openeye Name: 3-amino-8-piperazin-1-yl-chromen-2-one; methanesulfonic acid CAS Name: 3-amino-8-(1-piperazinyl)-1-benzopyran-2-one; methanesulfonic acid IUPAC Name: 3-amino-8-piperazin-1-ylchromen-2-one; methanesulfonic acid Traditional Name: 3-amino-8-piperazino-coumarin; mesylic acid Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CCN1)C2=CC=CC3=C2OC(=O)C(=C3)N

Isomeric SMILES

CS(=O)(=O)O.C1CN(CCN1)C2=CC=CC3=C2OC(=O)C(=C3)N

InChI

InChI=1S/C13H15N3O2.CH4O3S/c14-10-8-9-2-1-3-11(12(9)18-13(10)17)16-6-4-15-5-7-16;1-5(2,3)4/h1-3,8,15H,4-7,14H2;1H3,(H,2,3,4)