5-(4-chlorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-chlorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-2-(1-piperidin-1-iumylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H19ClN3OS+ MolecularWeight: 360.88096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

InChI

InChI=1S/C18H18ClN3OS/c19-13-6-4-12(5-7-13)14-11-24-18-16(14)17(23)20-15(21-18)10-22-8-2-1-3-9-22/h4-7,11H,1-3,8-10H2,(H,20,21,23)/p+1