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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-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/c1-26-19-9-5-7-17(20(19)27-2)15-22-12-10-21(11-13-22)14-16-6-3-4-8-18(16)23(24)25/h3-9H,10-15H2,1-2H3/p+2