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

Systemtic Name: 3,3-dimethyl-6-[4-(phenylsulfonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-[4-(benzenesulfonyl)-1-piperazinyl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(4-besylpiperazino)-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C24H31N4O3S+ MolecularWeight: 455.59294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C#N)(C)C

Isomeric SMILES

CC(C)C1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C#N)(C)C

InChI

InChI=1S/C24H30N4O3S/c1-17(2)22-21-16-31-24(3,4)14-19(21)20(15-25)23(26-22)27-10-12-28(13-11-27)32(29,30)18-8-6-5-7-9-18/h5-9,17H,10-14,16H2,1-4H3/p+1