[(1S,2S)-1-(5-chloranylthiophen-2-yl)-2-ethyl-hexyl]azanium

Systemtic Name: [(1S,2S)-1-(5-chloranylthiophen-2-yl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(5-chloro-2-thienyl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(5-chloro-2-thiophenyl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(5-chlorothiophen-2-yl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-(5-chloro-2-thienyl)-2-ethyl-hexyl]ammonium Formula: C12H21ClNS+ MolecularWeight: 246.81984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(C1=CC=C(S1)Cl)[NH3+]

Isomeric SMILES

CCCC[C@H](CC)[C@@H](C1=CC=C(S1)Cl)[NH3+]

InChI

InChI=1S/C12H20ClNS/c1-3-5-6-9(4-2)12(14)10-7-8-11(13)15-10/h7-9,12H,3-6,14H2,1-2H3/p+1/t9-,12-/m0/s1