1-[(3-bromophenyl)methyl]-4-propan-2-yl-piperazine; ethanedioic acid

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-propan-2-yl-piperazine; ethanedioic acid Openeye Name: 1-[(3-bromophenyl)methyl]-4-isopropyl-piperazine; oxalic acid CAS Name: 1-[(3-bromophenyl)methyl]-4-propan-2-ylpiperazine; oxalic acid IUPAC Name: 1-[(3-bromophenyl)methyl]-4-propan-2-ylpiperazine; oxalic acid Traditional Name: 1-(3-bromobenzyl)-4-isopropyl-piperazine; oxalic acid Formula: C16H23BrN2O4 MolecularWeight: 387.26882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2.C2H2O4/c1-12(2)17-8-6-16(7-9-17)11-13-4-3-5-14(15)10-13;3-1(4)2(5)6/h3-5,10,12H,6-9,11H2,1-2H3;(H,3,4)(H,5,6)