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

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

Systemtic Name:1-[(5-nitrothiophen-2-yl)methyl]azocan-1-ium
Openeye Name:1-[(5-nitro-2-thienyl)methyl]azocan-1-ium
CAS Name:1-[(5-nitro-2-thiophenyl)methyl]azocan-1-ium
IUPAC Name:1-[(5-nitrothiophen-2-yl)methyl]azocan-1-ium
Traditional Name:1-[(5-nitro-2-thienyl)methyl]azocan-1-ium
Formula: C12H19N2O2S+
MolecularWeight: 255.35646
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CC=C(S2)[N+](=O)[O-]


Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CC=C(S2)[N+](=O)[O-]


InChI

InChI=1S/C12H18N2O2S/c15-14(16)12-7-6-11(17-12)10-13-8-4-2-1-3-5-9-13/h6-7H,1-5,8-10H2/p+1


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