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1-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]piperidin-1-ium

1-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]piperidin-1-ium

Systemtic Name:1-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]piperidin-1-ium
Openeye Name:1-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]piperidin-1-ium
CAS Name:1-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]piperidin-1-ium
IUPAC Name:1-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]piperidin-1-ium
Traditional Name:1-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]piperidin-1-ium
Formula: C15H21N2O4+
MolecularWeight: 293.33824
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2OCC3=C(CO2)C=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

C1CC[NH+](CC1)C[C@H]2OCC3=C(CO2)C=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C15H20N2O4/c18-17(19)14-5-4-12-10-20-15(21-11-13(12)8-14)9-16-6-2-1-3-7-16/h4-5,8,15H,1-3,6-7,9-11H2/p+1/t15-/m0/s1


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