1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-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)18-9-5-4-8-17(18)15-20-12-10-19(11-13-20)14-16-6-2-1-3-7-16/h1-2,4-5,8-9,16H,3,6-7,10-15H2/p+2/t16-/m1/s1