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

Systemtic Name: 3,3-dimethyl-6-[4-(phenylsulfonyl)piperazin-1-yl]-8-propyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-[4-(benzenesulfonyl)-1-piperazinyl]-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]-3,3-dimethyl-8-propyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(4-besylpiperazino)-3,3-dimethyl-8-propyl-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:

CCCC1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C#N)(C)C

Isomeric SMILES

CCCC1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C#N)(C)C

InChI

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