[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-2-(dimethylamino)-3-methyl-butyl]azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-2-(dimethylamino)-3-methyl-butyl]azanium Openeye Name: [(2R)-2-(dimethylamino)-3-methyl-butyl]-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[(2R)-2-(dimethylamino)-3-methylbutyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-2-(dimethylamino)-3-methylbutyl]azanium Traditional Name: [(2R)-2-(dimethylamino)-3-methyl-butyl]-[(4S)-thiochroman-4-yl]ammonium Formula: C16H27N2S+ MolecularWeight: 279.46398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2S/c1-12(2)15(18(3)4)11-17-14-9-10-19-16-8-6-5-7-13(14)16/h5-8,12,14-15,17H,9-11H2,1-4H3/p+1/t14-,15-/m0/s1