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

Systemtic Name: 2-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxybenzenecarbonitrile Openeye Name: 2-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile CAS Name: 2-[[5,6-dimethyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-thieno[2,3-d]pyrimidinyl]oxy]benzonitrile IUPAC Name: 2-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Traditional Name: 2-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)OC4=CC=CC=C4C#N

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)OC4=CC=CC=C4C#N

InChI

InChI=1S/C22H24N4OS/c1-14-8-10-26(11-9-14)13-19-24-21(20-15(2)16(3)28-22(20)25-19)27-18-7-5-4-6-17(18)12-23/h4-7,14H,8-11,13H2,1-3H3/p+1