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

Systemtic Name: 3,3-dimethyl-8-(phenylmethyl)-6-(4-propanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-benzyl-3,3-dimethyl-6-(4-propanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[4-(1-oxopropyl)-1-piperazinyl]-8-(phenylmethyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-benzyl-3,3-dimethyl-6-(4-propanoylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-benzyl-3,3-dimethyl-6-(4-propionylpiperazino)-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:

CCC(=O)N1CCN(CC1)C2=[NH+]C(=C3COC(CC3=C2C#N)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=[NH+]C(=C3COC(CC3=C2C#N)(C)C)CC4=CC=CC=C4

InChI

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