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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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