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

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-2-(dimethylamino)-4-methyl-pentyl]azanium Openeye Name: [(2R)-2-(dimethylamino)-4-methyl-pentyl]-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[(2R)-2-(dimethylamino)-4-methylpentyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-2-(dimethylamino)-4-methylpentyl]azanium Traditional Name: [(2R)-2-(dimethylamino)-4-methyl-pentyl]-[(4S)-thiochroman-4-yl]ammonium Formula: C17H29N2S+ MolecularWeight: 293.49056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2S/c1-13(2)11-14(19(3)4)12-18-16-9-10-20-17-8-6-5-7-15(16)17/h5-8,13-14,16,18H,9-12H2,1-4H3/p+1/t14-,16+/m1/s1