4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(5-cyano-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)piperazine-1-carbothioamide CAS Name: 4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(5-cyano-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)piperazine-1-carbothioamide Formula: C22H32N5OS+ MolecularWeight: 414.58738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5OS/c1-6-7-24-21(29)27-10-8-26(9-11-27)20-17(13-23)16-12-22(4,5)28-14-18(16)19(25-20)15(2)3/h6,15H,1,7-12,14H2,2-5H3,(H,24,29)/p+1