[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(4S)-thiochroman-4-yl]ammonium Formula: C16H26NS+ MolecularWeight: 264.44934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NS/c1-12(2)8-9-13(3)17-15-10-11-18-16-7-5-4-6-14(15)16/h4-7,12-13,15,17H,8-11H2,1-3H3/p+1/t13-,15-/m0/s1