4-bromanyl-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-(4-methylpiperazin-1-yl)-1-piperidyl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-(4-methylpiperazino)piperidino]methyl]phenol; oxalic acid Formula: C19H28BrN3O5 MolecularWeight: 458.34672

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26BrN3O.C2H2O4/c1-19-8-10-21(11-9-19)16-4-6-20(7-5-16)13-14-12-15(18)2-3-17(14)22;3-1(4)2(5)6/h2-3,12,16,22H,4-11,13H2,1H3;(H,3,4)(H,5,6)