3,3-dimethyl-6-[4-(2-methylpropanoyl)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-(2-methylpropanoyl)piperazin-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-(2-methylpropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(4-isobutyrylpiperazino)-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2/c1-14(2)19-18-13-28-22(5,6)11-16(18)17(12-23)20(24-19)25-7-9-26(10-8-25)21(27)15(3)4/h14-15H,7-11,13H2,1-6H3/p+1