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

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-nitrobenzyl)-4-(3,4,5-trimethoxybenzyl)piperazine-1,4-diium Formula: C21H29N3O5+2 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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