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

Systemtic Name: 3,3-dimethyl-6-(4-pentanoylpiperazin-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-pentanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[4-(1-oxopentyl)-1-piperazinyl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-(4-pentanoylpiperazin-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-valerylpiperazino)-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:

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

Isomeric SMILES

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

InChI

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