1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[[(1R)-1-cyclohex-3-enyl]methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(3-nitrobenzyl)piperazine-1,4-diium Formula: C18H27N3O2+2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[C@H](CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O2/c22-21(23)18-8-4-7-17(13-18)15-20-11-9-19(10-12-20)14-16-5-2-1-3-6-16/h1-2,4,7-8,13,16H,3,5-6,9-12,14-15H2/p+2/t16-/m0/s1