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

Systemtic Name: 1-cyclopentyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-cyclopentyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-cyclopentyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-cyclopentyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-cyclopentyl-4-(3-nitrobenzyl)piperazine-1,4-diium Formula: C16H25N3O2+2 MolecularWeight: 291.3886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O2/c20-19(21)16-7-3-4-14(12-16)13-17-8-10-18(11-9-17)15-5-1-2-6-15/h3-4,7,12,15H,1-2,5-6,8-11,13H2/p+2