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

Systemtic Name: 4-bromanyl-2-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-(4-ethylpiperazin-1-yl)-1-piperidyl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-(4-ethyl-1-piperazinyl)-1-piperidinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-(4-ethylpiperazino)piperidino]methyl]phenol; oxalic acid Formula: C20H30BrN3O5 MolecularWeight: 472.3733

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28BrN3O.C2H2O4/c1-2-20-9-11-22(12-10-20)17-5-7-21(8-6-17)14-15-13-16(19)3-4-18(15)23;3-1(4)2(5)6/h3-4,13,17,23H,2,5-12,14H2,1H3;(H,3,4)(H,5,6)