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

Systemtic Name: 6-(4-butanoylpiperazin-1-yl)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(4-butanoylpiperazin-1-yl)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[4-(1-oxobutyl)-1-piperazinyl]-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(4-butanoylpiperazin-1-yl)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(4-butyrylpiperazino)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C25H31N4O2+ MolecularWeight: 419.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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