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

Systemtic Name: 5-(4-bromophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H21BrN3OS+ MolecularWeight: 419.35854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3OS/c1-12-6-8-23(9-7-12)10-16-21-18(24)17-15(11-25-19(17)22-16)13-2-4-14(20)5-3-13/h2-5,11-12H,6-10H2,1H3,(H,21,22,24)/p+1