3,3-dimethyl-6-phenacylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-6-phenacylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 3,3-dimethyl-6-phenacylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-(phenacylthio)-8-(1-pyrrolidinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-phenacylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 3,3-dimethyl-6-(phenacylthio)-8-pyrrolidino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCCC3)SCC(=O)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCCC3)SCC(=O)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C23H25N3O2S/c1-23(2)12-17-18(13-24)22(29-15-20(27)16-8-4-3-5-9-16)25-21(19(17)14-28-23)26-10-6-7-11-26/h3-5,8-9H,6-7,10-12,14-15H2,1-2H3/p+1