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

Systemtic Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H30N3OS+ MolecularWeight: 348.526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3OS/c1-5-12(2)10-15-14(4)24-19-17(15)18(23)20-16(21-19)11-22-8-6-13(3)7-9-22/h12-13H,5-11H2,1-4H3,(H,20,21,23)/p+1/t12-/m0/s1