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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-m-anisyl-4-(4-nitrobenzyl)piperazine-1,4-diium Formula: C19H25N3O3+2 MolecularWeight: 343.4201

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3/c1-25-19-4-2-3-17(13-19)15-21-11-9-20(10-12-21)14-16-5-7-18(8-6-16)22(23)24/h2-8,13H,9-12,14-15H2,1H3/p+2