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

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

Systemtic Name:2-methylpropyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium
Openeye Name:isobutyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium
CAS Name:2-methylpropyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium
IUPAC Name:2-methylpropyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium
Traditional Name:isobutyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium
Formula: C14H21N2O4+
MolecularWeight: 281.32754
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC1OCC2=C(CO1)C=C(C=C2)[N+](=O)[O-]


Isomeric SMILES

CC(C)C[NH2+]C[C@H]1OCC2=C(CO1)C=C(C=C2)[N+](=O)[O-]


InChI

InChI=1S/C14H20N2O4/c1-10(2)6-15-7-14-19-8-11-3-4-13(16(17)18)5-12(11)9-20-14/h3-5,10,14-15H,6-9H2,1-2H3/p+1/t14-/m0/s1


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