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

Systemtic Name: 4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde Openeye Name: 4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde CAS Name: 4-[[5,6-dimethyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-thieno[2,3-d]pyrimidinyl]oxy]benzaldehyde IUPAC Name: 4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde Traditional Name: 4-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)OC4=CC=C(C=C4)C=O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)OC4=CC=C(C=C4)C=O

InChI

InChI=1S/C22H25N3O2S/c1-14-8-10-25(11-9-14)12-19-23-21(20-15(2)16(3)28-22(20)24-19)27-18-6-4-17(13-26)5-7-18/h4-7,13-14H,8-12H2,1-3H3/p+1