3,3-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-isopropyl-3,3-dimethyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-isopropyl-3,3-dimethyl-6-(4-tosylpiperazino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C25H33N4O3S+ MolecularWeight: 469.61952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C(=C4COC(CC4=C3C#N)(C)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C(=C4COC(CC4=C3C#N)(C)C)C(C)C

InChI

InChI=1S/C25H32N4O3S/c1-17(2)23-22-16-32-25(4,5)14-20(22)21(15-26)24(27-23)28-10-12-29(13-11-28)33(30,31)19-8-6-18(3)7-9-19/h6-9,17H,10-14,16H2,1-5H3/p+1