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

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-2-(dimethylamino)-3-ethyl-pentyl]azanium Openeye Name: [(2R)-2-(dimethylamino)-3-ethyl-pentyl]-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[(2R)-2-(dimethylamino)-3-ethylpentyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-2-(dimethylamino)-3-ethylpentyl]azanium Traditional Name: [(2R)-2-(dimethylamino)-3-ethyl-pentyl]-[(4S)-thiochroman-4-yl]ammonium Formula: C18H31N2S+ MolecularWeight: 307.51714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2S/c1-5-14(6-2)17(20(3)4)13-19-16-11-12-21-18-10-8-7-9-15(16)18/h7-10,14,16-17,19H,5-6,11-13H2,1-4H3/p+1/t16-,17-/m0/s1