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

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(m-tolylmethyl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-methylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-methylbenzyl)-4-(3-nitrobenzyl)piperazine-1,4-diium Formula: C19H25N3O2+2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O2/c1-16-4-2-5-17(12-16)14-20-8-10-21(11-9-20)15-18-6-3-7-19(13-18)22(23)24/h2-7,12-13H,8-11,14-15H2,1H3/p+2