6-[(4-bromophenyl)methylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 6-[(4-bromophenyl)methylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-[(4-bromophenyl)methylsulfanyl]-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-[(4-bromophenyl)methylthio]-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-[(4-bromophenyl)methylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-[(4-bromobenzyl)thio]-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C22H25BrN3O2S+ MolecularWeight: 475.4218

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCOCC3)SCC4=CC=C(C=C4)Br)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCOCC3)SCC4=CC=C(C=C4)Br)C#N)C

InChI

InChI=1S/C22H24BrN3O2S/c1-22(2)11-17-18(12-24)21(29-14-15-3-5-16(23)6-4-15)25-20(19(17)13-28-22)26-7-9-27-10-8-26/h3-6H,7-11,13-14H2,1-2H3/p+1