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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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