2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H20N3OS2+ MolecularWeight: 346.4902

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C17H19N3OS2/c1-11-4-6-20(7-5-11)9-14-18-16(21)15-12(10-23-17(15)19-14)13-3-2-8-22-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,19,21)/p+1