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

Systemtic Name: [(4S)-4-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azaniumyl]pentyl]-diethyl-azanium Openeye Name: diethyl-[(4S)-4-[[(4S)-thiochroman-4-yl]ammonio]pentyl]ammonium CAS Name: [(4S)-4-[[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]ammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azaniumyl]pentyl]-diethylazanium Traditional Name: diethyl-[(4S)-4-[[(4S)-thiochroman-4-yl]ammonio]pentyl]ammonium Formula: C18H32N2S+2 MolecularWeight: 308.52508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2S/c1-4-20(5-2)13-8-9-15(3)19-17-12-14-21-18-11-7-6-10-16(17)18/h6-7,10-11,15,17,19H,4-5,8-9,12-14H2,1-3H3/p+2/t15-,17-/m0/s1