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

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4-ethylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-ethylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-ethylbenzyl)-4-(3-nitrobenzyl)piperazine-1,4-diium Formula: C20H27N3O2+2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O2/c1-2-17-6-8-18(9-7-17)15-21-10-12-22(13-11-21)16-19-4-3-5-20(14-19)23(24)25/h3-9,14H,2,10-13,15-16H2,1H3/p+2