1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium Openeye Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium CAS Name: 1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium IUPAC Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium Traditional Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(4-nitrobenzyl)piperazin-1-ium Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2/c22-21(23)18-8-6-17(7-9-18)15-20-12-10-19(11-13-20)14-16-4-2-1-3-5-16/h1-2,6-9,16H,3-5,10-15H2/p+1/t16-/m1/s1