[(1S,2S)-1-(1-benzothiophen-3-yl)-2-ethyl-hexyl]azanium

Systemtic Name: [(1S,2S)-1-(1-benzothiophen-3-yl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(benzothiophen-3-yl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(1-benzothiophen-3-yl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(1-benzothiophen-3-yl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-(benzothiophen-3-yl)-2-ethyl-hexyl]ammonium Formula: C16H24NS+ MolecularWeight: 262.43346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(C1=CSC2=CC=CC=C21)[NH3+]

Isomeric SMILES

CCCC[C@H](CC)[C@@H](C1=CSC2=CC=CC=C21)[NH3+]

InChI

InChI=1S/C16H23NS/c1-3-5-8-12(4-2)16(17)14-11-18-15-10-7-6-9-13(14)15/h6-7,9-12,16H,3-5,8,17H2,1-2H3/p+1/t12-,16-/m0/s1