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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2

InChI

InChI=1S/C21H25N3OS/c1-13-4-6-16(7-5-13)18-15(3)26-21-19(18)20(25)22-17(23-21)12-24-10-8-14(2)9-11-24/h4-7,14H,8-12H2,1-3H3,(H,22,23,25)/p+1