2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H23N4O3S+ MolecularWeight: 423.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4)C(=O)C

InChI

InChI=1S/C22H22N4O3S/c1-12-18-20(28)24-17(25-22(18)30-19(12)13(2)27)11-26-9-7-14(8-10-26)21-23-15-5-3-4-6-16(15)29-21/h3-6,14H,7-11H2,1-2H3,(H,24,25,28)/p+1