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

Systemtic Name: 6-(4-butanoylpiperazin-1-yl)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(4-butanoylpiperazin-1-yl)-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[4-(1-oxobutyl)-1-piperazinyl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(4-butanoylpiperazin-1-yl)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(4-butyrylpiperazino)-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:

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

Isomeric SMILES

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

InChI

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