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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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