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

Systemtic Name: 3,3-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 3,3-dimethyl-8-phenyl-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-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 3,3-dimethyl-8-phenyl-6-(4-tosylpiperazino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C28H31N4O3S+ MolecularWeight: 503.63574

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C(=C4COC(CC4=C3C#N)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O3S/c1-20-9-11-22(12-10-20)36(33,34)32-15-13-31(14-16-32)27-24(18-29)23-17-28(2,3)35-19-25(23)26(30-27)21-7-5-4-6-8-21/h4-12H,13-17,19H2,1-3H3/p+1