N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-azabicyclo[2.2.2]octan-3-amine Openeye Name: N-(6-chlorothiochroman-4-yl)quinuclidin-3-amine CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-azabicyclo[2.2.2]octan-3-amine IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1-azabicyclo[2.2.2]octan-3-amine Traditional Name: (6-chlorothiochroman-4-yl)-quinuclidin-3-yl-amine Formula: C16H21ClN2S MolecularWeight: 308.86934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC3CCSC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1CN2CCC1C(C2)NC3CCSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C16H21ClN2S/c17-12-1-2-16-13(9-12)14(5-8-20-16)18-15-10-19-6-3-11(15)4-7-19/h1-2,9,11,14-15,18H,3-8,10H2