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

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-pentan-3-yl-piperazine-1,4-diium Openeye Name: 1-(1-ethylpropyl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-nitrophenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium Traditional Name: 1-(1-ethylpropyl)-4-(3-nitrobenzyl)piperazine-1,4-diium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O2/c1-3-15(4-2)18-10-8-17(9-11-18)13-14-6-5-7-16(12-14)19(20)21/h5-7,12,15H,3-4,8-11,13H2,1-2H3/p+2