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heptan-4-yl(thiophen-2-ylmethyl)azanium

heptan-4-yl(thiophen-2-ylmethyl)azanium

Systemtic Name:heptan-4-yl(thiophen-2-ylmethyl)azanium
Openeye Name:1-propylbutyl(2-thienylmethyl)ammonium
CAS Name:heptan-4-yl(thiophen-2-ylmethyl)ammonium
IUPAC Name:heptan-4-yl(thiophen-2-ylmethyl)azanium
Traditional Name:1-propylbutyl(2-thenyl)ammonium
Formula: C12H22NS+
MolecularWeight: 212.37478
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)[NH2+]CC1=CC=CS1


Isomeric SMILES

CCCC(CCC)[NH2+]CC1=CC=CS1


InChI

InChI=1S/C12H21NS/c1-3-6-11(7-4-2)13-10-12-8-5-9-14-12/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3/p+1


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