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

Systemtic Name: 6-phenyl-2-piperidin-1-ium-4-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-phenyl-2-piperidin-1-ium-4-yl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-phenyl-2-(4-piperidin-1-iumyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-phenyl-2-piperidin-1-ium-4-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-phenyl-2-piperidin-1-ium-4-yl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1C[NH2+]CCC1C2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C17H17N3OS/c21-16-13-10-14(11-4-2-1-3-5-11)22-17(13)20-15(19-16)12-6-8-18-9-7-12/h1-5,10,12,18H,6-9H2,(H,19,20,21)/p+1