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

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