3-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azaniumyl]propyl-diethyl-azanium Openeye Name: diethyl-[3-[[(4S)-thiochroman-4-yl]ammonio]propyl]ammonium CAS Name: 3-[[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]ammonio]propyl-diethylammonium IUPAC Name: 3-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azaniumyl]propyl-diethylazanium Traditional Name: diethyl-[3-[[(4S)-thiochroman-4-yl]ammonio]propyl]ammonium Formula: C16H28N2S+2 MolecularWeight: 280.47192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2S/c1-3-18(4-2)12-7-11-17-15-10-13-19-16-9-6-5-8-14(15)16/h5-6,8-9,15,17H,3-4,7,10-13H2,1-2H3/p+2/t15-/m0/s1