1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-m-anisyl-piperazine-1,4-diium Formula: C21H29N3O5+2 MolecularWeight: 403.47206

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-27-18-6-4-5-16(11-18)14-22-7-9-23(10-8-22)15-17-12-20(28-2)21(29-3)13-19(17)24(25)26/h4-6,11-13H,7-10,14-15H2,1-3H3/p+2