1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one; ethanedioic acid

Systemtic Name: 1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one; ethanedioic acid Openeye Name: 1-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one; oxalic acid CAS Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]-3-methyl-1-butanone; oxalic acid IUPAC Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one; oxalic acid Traditional Name: 1-[4-(5-bromo-2-methoxy-benzyl)piperazino]-3-methyl-butan-1-one; oxalic acid Formula: C19H27BrN2O6 MolecularWeight: 459.33148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CC2=C(C=CC(=C2)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)CC2=C(C=CC(=C2)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25BrN2O2.C2H2O4/c1-13(2)10-17(21)20-8-6-19(7-9-20)12-14-11-15(18)4-5-16(14)22-3;3-1(4)2(5)6/h4-5,11,13H,6-10,12H2,1-3H3;(H,3,4)(H,5,6)