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

Systemtic Name: 6-(4-butanoylpiperazin-1-yl)-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(4-butanoylpiperazin-1-yl)-8-isobutyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-8-(2-methylpropyl)-6-[4-(1-oxobutyl)-1-piperazinyl]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(4-butanoylpiperazin-1-yl)-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(4-butyrylpiperazino)-8-isobutyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C23H35N4O2+ MolecularWeight: 399.5496

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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O2/c1-6-7-21(28)26-8-10-27(11-9-26)22-18(14-24)17-13-23(4,5)29-15-19(17)20(25-22)12-16(2)3/h16H,6-13,15H2,1-5H3/p+1