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

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

Systemtic Name:1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-nitrophenyl)methyl]piperazin-1-ium
Openeye Name:1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-nitrophenyl)methyl]piperazin-1-ium
CAS Name:1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-[(3-nitrophenyl)methyl]piperazin-1-ium
IUPAC Name:1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-nitrophenyl)methyl]piperazin-1-ium
Traditional Name:1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(3-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(=CC=C3)[N+](=O)[O-]


Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCN(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+1/t16-/m1/s1


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