[(2S)-heptan-2-yl]-(2-thiophen-2-ylethyl)azanium

Systemtic Name: [(2S)-heptan-2-yl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [(1S)-1-methylhexyl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [(2S)-heptan-2-yl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [(2S)-heptan-2-yl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [(1S)-1-methylhexyl]-[2-(2-thienyl)ethyl]ammonium Formula: C13H24NS+ MolecularWeight: 226.40136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CCC1=CC=CS1

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CCC1=CC=CS1

InChI

InChI=1S/C13H23NS/c1-3-4-5-7-12(2)14-10-9-13-8-6-11-15-13/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3/p+1/t12-/m0/s1