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

Systemtic Name: 3,3-dimethyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 3,3-dimethyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(4-isobutyrylpiperazino)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=[NH+]C(=C3COC(CC3=C2C#N)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=[NH+]C(=C3COC(CC3=C2C#N)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-17(2)24(30)29-12-10-28(11-13-29)23-20(15-26)19-14-25(3,4)31-16-21(19)22(27-23)18-8-6-5-7-9-18/h5-9,17H,10-14,16H2,1-4H3/p+1