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

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

CC1CCC[NH+](C1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2

InChI

InChI=1S/C19H20BrN3OS/c1-12-3-2-8-23(9-12)10-16-21-18(24)17-15(11-25-19(17)22-16)13-4-6-14(20)7-5-13/h4-7,11-12H,2-3,8-10H2,1H3,(H,21,22,24)/p+1/t12-/m0/s1