1-[(3-methylphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(m-tolylmethyl)-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-methylphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-methylbenzyl)-4-(2-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/c1-16-5-4-6-17(13-16)14-20-9-11-21(12-10-20)15-18-7-2-3-8-19(18)22(23)24/h2-8,13H,9-12,14-15H2,1H3/p+2