4-(3-aminophenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; methanesulfonate

Systemtic Name: 4-(3-aminophenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; methanesulfonate Openeye Name: 4-(3-aminophenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; methanesulfonate CAS Name: 4-(3-aminophenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; methanesulfonate IUPAC Name: 4-(3-aminophenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; methanesulfonate Traditional Name: 4-(3-aminophenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one mesylate Formula: C15H18N3O4S- MolecularWeight: 336.38612

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1C=CCC2C1C(=NNC2=O)C3=CC(=CC=C3)N

Isomeric SMILES

CS(=O)(=O)[O-].C1C=CCC2C1C(=NNC2=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C14H15N3O.CH4O3S/c15-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)14(18)17-16-13;1-5(2,3)4/h1-5,8,11-12H,6-7,15H2,(H,17,18);1H3,(H,2,3,4)/p-1