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

Systemtic Name: 5,6-dimethyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H25N3OS/c1-14-15(2)26-21-19(14)20(25)22-18(23-21)13-24-10-8-17(9-11-24)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H,22,23,25)/p+1