[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; ethanedioic acid

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; ethanedioic acid Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazinyl]-(3-methoxyphenyl)methanone; oxalic acid IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid Traditional Name: [4-(3-bromobenzyl)piperazino]-(3-methoxyphenyl)methanone; oxalic acid Formula: C21H23BrN2O6 MolecularWeight: 479.32112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21BrN2O2.C2H2O4/c1-24-18-7-3-5-16(13-18)19(23)22-10-8-21(9-11-22)14-15-4-2-6-17(20)12-15;3-1(4)2(5)6/h2-7,12-13H,8-11,14H2,1H3;(H,3,4)(H,5,6)