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1-[(5-nitrothiophen-2-yl)methyl]azepan-1-ium

1-[(5-nitrothiophen-2-yl)methyl]azepan-1-ium

Systemtic Name:1-[(5-nitrothiophen-2-yl)methyl]azepan-1-ium
Openeye Name:1-[(5-nitro-2-thienyl)methyl]azepan-1-ium
CAS Name:1-[(5-nitro-2-thiophenyl)methyl]azepan-1-ium
IUPAC Name:1-[(5-nitrothiophen-2-yl)methyl]azepan-1-ium
Traditional Name:1-[(5-nitro-2-thienyl)methyl]azepan-1-ium
Formula: C11H17N2O2S+
MolecularWeight: 241.32988
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(S2)[N+](=O)[O-]


Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(S2)[N+](=O)[O-]


InChI

InChI=1S/C11H16N2O2S/c14-13(15)11-6-5-10(16-11)9-12-7-3-1-2-4-8-12/h5-6H,1-4,7-9H2/p+1


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