[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: (1-isopropylpiperidin-1-ium-4-yl)-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: (1-isopropylpiperidin-1-ium-4-yl)-[(4S)-thiochroman-4-yl]ammonium Formula: C17H28N2S+2 MolecularWeight: 292.48262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH2+]C2CCSC3=CC=CC=C23

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH2+][C@H]2CCSC3=CC=CC=C23

InChI

InChI=1S/C17H26N2S/c1-13(2)19-10-7-14(8-11-19)18-16-9-12-20-17-6-4-3-5-15(16)17/h3-6,13-14,16,18H,7-12H2,1-2H3/p+2/t16-/m0/s1