1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(3-nitrobenzyl)piperazine-1,4-diium Formula: C20H27N3O4+2 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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