2-bromanyl-7-(4-methylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one; methanesulfonic acid

Systemtic Name: 2-bromanyl-7-(4-methylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one; methanesulfonic acid Openeye Name: 2-bromo-7-(4-methylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one; methanesulfonic acid CAS Name: 2-bromo-7-(4-methyl-1-piperazinyl)-1-cyclohepta-2,4,6-trienone; methanesulfonic acid IUPAC Name: 2-bromo-7-(4-methylpiperazin-1-yl)cyclohepta-2,4,6-trien-1-one; methanesulfonic acid Traditional Name: 2-bromo-7-(4-methylpiperazino)cyclohepta-2,4,6-trien-1-one; mesylic acid Formula: C13H19BrN2O4S MolecularWeight: 379.26996

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C(C2=O)Br.CS(=O)(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C(C2=O)Br.CS(=O)(=O)O

InChI

InChI=1S/C12H15BrN2O.CH4O3S/c1-14-6-8-15(9-7-14)11-5-3-2-4-10(13)12(11)16;1-5(2,3)4/h2-5H,6-9H2,1H3;1H3,(H,2,3,4)