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

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(4,5-dimethoxy-2-nitro-benzyl)piperazine-1,4-diium Formula: C20H27N3O4+2 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-26-19-12-17(18(23(24)25)13-20(19)27-2)15-22-10-8-21(9-11-22)14-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14-15H2,1-2H3/p+2