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

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

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

Isomeric SMILES

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

InChI

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