[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2S)-6-methylheptan-2-yl]azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-[(4S)-thiochroman-4-yl]ammonium Formula: C17H28NS+ MolecularWeight: 278.47592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NS/c1-13(2)7-6-8-14(3)18-16-11-12-19-17-10-5-4-9-15(16)17/h4-5,9-10,13-14,16,18H,6-8,11-12H2,1-3H3/p+1/t14-,16-/m0/s1