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

Systemtic Name: 3,3-dimethyl-8-(2-methylpropyl)-6-(4-propanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-isobutyl-3,3-dimethyl-6-(4-propanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-8-(2-methylpropyl)-6-[4-(1-oxopropyl)-1-piperazinyl]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-8-(2-methylpropyl)-6-(4-propanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-isobutyl-3,3-dimethyl-6-(4-propionylpiperazino)-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:

CCC(=O)N1CCN(CC1)C2=[NH+]C(=C3COC(CC3=C2C#N)(C)C)CC(C)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=[NH+]C(=C3COC(CC3=C2C#N)(C)C)CC(C)C

InChI

InChI=1S/C22H32N4O2/c1-6-20(27)25-7-9-26(10-8-25)21-17(13-23)16-12-22(4,5)28-14-18(16)19(24-21)11-15(2)3/h15H,6-12,14H2,1-5H3/p+1