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

Systemtic Name: 8-butyl-3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-butyl-3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-butyl-3,3-dimethyl-6-[4-(1-oxopentyl)-1-piperazinyl]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-butyl-3,3-dimethyl-6-(4-pentanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-butyl-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:

CCCCC1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)CCCC)C#N)(C)C

Isomeric SMILES

CCCCC1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)CCCC)C#N)(C)C

InChI

InChI=1S/C24H36N4O2/c1-5-7-9-21-20-17-30-24(3,4)15-18(20)19(16-25)23(26-21)28-13-11-27(12-14-28)22(29)10-8-6-2/h5-15,17H2,1-4H3/p+1