4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxy-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxy-3-methoxy-benzenecarbonitrile Openeye Name: 4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxy-3-methoxy-benzonitrile CAS Name: 4-[[5,6-dimethyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-thieno[2,3-d]pyrimidinyl]oxy]-3-methoxybenzonitrile IUPAC Name: 4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxy-3-methoxybenzonitrile Traditional Name: 4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxy-3-methoxy-benzonitrile Formula: C23H27N4O2S+ MolecularWeight: 423.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)OC4=C(C=C(C=C4)C#N)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)OC4=C(C=C(C=C4)C#N)OC

InChI

InChI=1S/C23H26N4O2S/c1-14-7-9-27(10-8-14)13-20-25-22(21-15(2)16(3)30-23(21)26-20)29-18-6-5-17(12-24)11-19(18)28-4/h5-6,11,14H,7-10,13H2,1-4H3/p+1