N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloranyl-2-phenyl-thiochromen-4-imine

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloranyl-2-phenyl-thiochromen-4-imine Openeye Name: 6-chloro-2-phenyl-N-quinuclidin-3-yl-thiochromen-4-imine CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-2-phenyl-1-benzothiopyran-4-imine IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-2-phenylthiochromen-4-imine Traditional Name: (6-chloro-2-phenyl-thiochromen-4-ylidene)-quinuclidin-3-yl-amine Formula: C22H21ClN2S MolecularWeight: 380.93354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)N=C3C=C(SC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN2CCC1C(C2)N=C3C=C(SC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C22H21ClN2S/c23-17-6-7-21-18(12-17)19(13-22(26-21)16-4-2-1-3-5-16)24-20-14-25-10-8-15(20)9-11-25/h1-7,12-13,15,20H,8-11,14H2