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

Systemtic Name: 3,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 3,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-8-(4-methyl-1-piperazin-4-iumyl)-6-(methylthio)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 3,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-6-(methylthio)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C17H26N4OS+2 MolecularWeight: 334.47954

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CC[NH+](CC3)C)SC)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CC[NH+](CC3)C)SC)C#N)C

InChI

InChI=1S/C17H24N4OS/c1-17(2)9-12-13(10-18)16(23-4)19-15(14(12)11-22-17)21-7-5-20(3)6-8-21/h5-9,11H2,1-4H3/p+2