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

Systemtic Name: 1-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide Openeye Name: 1-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide CAS Name: 1-[5,6-dimethyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: 1-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide Traditional Name: 1-[5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]isonipecotamide Formula: C21H32N5OS+ MolecularWeight: 402.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C21H31N5OS/c1-13-4-8-25(9-5-13)12-17-23-20(18-14(2)15(3)28-21(18)24-17)26-10-6-16(7-11-26)19(22)27/h13,16H,4-12H2,1-3H3,(H2,22,27)/p+1