2-bromanyl-3-[(3-chlorophenyl)methoxy]-5-piperazin-1-yl-pyrazine; methanesulfonic acid

Systemtic Name: 2-bromanyl-3-[(3-chlorophenyl)methoxy]-5-piperazin-1-yl-pyrazine; methanesulfonic acid Openeye Name: 2-bromo-3-[(3-chlorophenyl)methoxy]-5-piperazin-1-yl-pyrazine; methanesulfonic acid CAS Name: 2-bromo-3-[(3-chlorophenyl)methoxy]-5-(1-piperazinyl)pyrazine; methanesulfonic acid IUPAC Name: 2-bromo-3-[(3-chlorophenyl)methoxy]-5-piperazin-1-ylpyrazine; methanesulfonic acid Traditional Name: 2-bromo-3-(3-chlorobenzyl)oxy-5-piperazino-pyrazine; mesylic acid Formula: C16H20BrClN4O4S MolecularWeight: 479.7764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CCN1)C2=CN=C(C(=N2)OCC3=CC(=CC=C3)Cl)Br

Isomeric SMILES

CS(=O)(=O)O.C1CN(CCN1)C2=CN=C(C(=N2)OCC3=CC(=CC=C3)Cl)Br

InChI

InChI=1S/C15H16BrClN4O.CH4O3S/c16-14-15(22-10-11-2-1-3-12(17)8-11)20-13(9-19-14)21-6-4-18-5-7-21;1-5(2,3)4/h1-3,8-9,18H,4-7,10H2;1H3,(H,2,3,4)