1-[(2-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[(2-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium CAS Name: 1-[(2-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-bromobenzyl)-4-(4,5-dimethoxy-2-nitro-benzyl)piperazin-4-ium Formula: C20H25BrN3O4+ MolecularWeight: 451.3342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCN(CC2)CC3=CC=CC=C3Br)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCN(CC2)CC3=CC=CC=C3Br)[N+](=O)[O-])OC

InChI

InChI=1S/C20H24BrN3O4/c1-27-19-11-16(18(24(25)26)12-20(19)28-2)14-23-9-7-22(8-10-23)13-15-5-3-4-6-17(15)21/h3-6,11-12H,7-10,13-14H2,1-2H3/p+1