1-[(3-chlorophenyl)methyl]-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-chlorophenyl)methyl]-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-chlorophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-chlorobenzyl)-4-(4,5-dimethoxy-2-nitro-benzyl)piperazine-1,4-diium Formula: C20H26ClN3O4+2 MolecularWeight: 407.89114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C20H24ClN3O4/c1-27-19-11-16(18(24(25)26)12-20(19)28-2)14-23-8-6-22(7-9-23)13-15-4-3-5-17(21)10-15/h3-5,10-12H,6-9,13-14H2,1-2H3/p+2