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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(4-bromophenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-bromophenyl)methyl]-4-[(1-methyl-2-pyrrolyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-bromobenzyl)-4-[(1-methylpyrrol-2-yl)methyl]piperazine; oxalic acid Formula: C19H24BrN3O4 MolecularWeight: 438.31556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN2CCN(CC2)CC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C=CC=C1CN2CCN(CC2)CC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22BrN3.C2H2O4/c1-19-8-2-3-17(19)14-21-11-9-20(10-12-21)13-15-4-6-16(18)7-5-15;3-1(4)2(5)6/h2-8H,9-14H2,1H3;(H,3,4)(H,5,6)