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

Systemtic Name: 3,3-dimethyl-8-(2-methylpropyl)-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-isobutyl-3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-8-(2-methylpropyl)-6-[4-(1-oxopentyl)-1-piperazinyl]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-8-(2-methylpropyl)-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-isobutyl-3,3-dimethyl-6-(4-valerylpiperazino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C24H37N4O2+ MolecularWeight: 413.57618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O2/c1-6-7-8-22(29)27-9-11-28(12-10-27)23-19(15-25)18-14-24(4,5)30-16-20(18)21(26-23)13-17(2)3/h17H,6-14,16H2,1-5H3/p+1