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

Systemtic Name: 6-(4-ethanoylpiperazin-1-yl)-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(4-acetylpiperazin-1-yl)-8-isobutyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(4-acetyl-1-piperazinyl)-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(4-acetylpiperazin-1-yl)-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(4-acetylpiperazino)-8-isobutyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C)C#N)(C)C

Isomeric SMILES

CC(C)CC1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C)C#N)(C)C

InChI

InChI=1S/C21H30N4O2/c1-14(2)10-19-18-13-27-21(4,5)11-16(18)17(12-22)20(23-19)25-8-6-24(7-9-25)15(3)26/h14H,6-11,13H2,1-5H3/p+1