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

Systemtic Name: 6-(diphenylmethyl)sulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-benzhydrylsulfanyl-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-[(diphenylmethyl)thio]-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-benzhydrylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(benzhydrylthio)-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C28H30N3O2S+ MolecularWeight: 472.6217

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCOCC3)SC(C4=CC=CC=C4)C5=CC=CC=C5)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCOCC3)SC(C4=CC=CC=C4)C5=CC=CC=C5)C#N)C

InChI

InChI=1S/C28H29N3O2S/c1-28(2)17-22-23(18-29)27(30-26(24(22)19-33-28)31-13-15-32-16-14-31)34-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,25H,13-17,19H2,1-2H3/p+1