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

Systemtic Name: 8-butyl-3,3-dimethyl-6-(4-propanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-butyl-3,3-dimethyl-6-(4-propanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-butyl-3,3-dimethyl-6-[4-(1-oxopropyl)-1-piperazinyl]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-butyl-3,3-dimethyl-6-(4-propanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-butyl-3,3-dimethyl-6-(4-propionylpiperazino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C22H33N4O2+ MolecularWeight: 385.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2/c1-5-7-8-19-18-15-28-22(3,4)13-16(18)17(14-23)21(24-19)26-11-9-25(10-12-26)20(27)6-2/h5-13,15H2,1-4H3/p+1