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

Systemtic Name: 6-phenyl-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-phenyl-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-phenyl-2-(1-piperidin-1-iumylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-phenyl-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-phenyl-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C18H19N3OS/c22-17-14-11-15(13-7-3-1-4-8-13)23-18(14)20-16(19-17)12-21-9-5-2-6-10-21/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,19,20,22)/p+1