[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2S)-2-ethylhexyl]azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2S)-2-ethylhexyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[(2S)-2-ethylhexyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2S)-2-ethylhexyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[(4S)-thiochroman-4-yl]ammonium Formula: C17H28NS+ MolecularWeight: 278.47592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]C1CCSC2=CC=CC=C12

Isomeric SMILES

CCCC[C@H](CC)C[NH2+][C@H]1CCSC2=CC=CC=C12

InChI

InChI=1S/C17H27NS/c1-3-5-8-14(4-2)13-18-16-11-12-19-17-10-7-6-9-15(16)17/h6-7,9-10,14,16,18H,3-5,8,11-13H2,1-2H3/p+1/t14-,16-/m0/s1