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1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]azepan-1-ium

1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]azepan-1-ium

Systemtic Name:1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]azepan-1-ium
Openeye Name:1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]azepan-1-ium
CAS Name:1-[(4,5-dimethoxy-2-nitrophenyl)methyl]azepan-1-ium
IUPAC Name:1-[(4,5-dimethoxy-2-nitrophenyl)methyl]azepan-1-ium
Traditional Name:1-(4,5-dimethoxy-2-nitro-benzyl)azepan-1-ium
Formula: C15H23N2O4+
MolecularWeight: 295.35412
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCCCCC2)[N+](=O)[O-])OC


Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCCCCC2)[N+](=O)[O-])OC


InChI

InChI=1S/C15H22N2O4/c1-20-14-9-12(11-16-7-5-3-4-6-8-16)13(17(18)19)10-15(14)21-2/h9-10H,3-8,11H2,1-2H3/p+1


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