3-phenethyl-1,2,3,4-tetrahydrothiochromeno[2,3-d]pyrimidin-3-ium-5-one

Systemtic Name: 3-phenethyl-1,2,3,4-tetrahydrothiochromeno[2,3-d]pyrimidin-3-ium-5-one Openeye Name: 3-phenethyl-1,2,3,4-tetrahydrothiochromeno[2,3-d]pyrimidin-3-ium-5-one CAS Name: 3-phenethyl-1,2,3,4-tetrahydrothiochromeno[2,3-d]pyrimidin-3-ium-5-one IUPAC Name: 3-phenethyl-1,2,3,4-tetrahydrothiochromeno[2,3-d]pyrimidin-3-ium-5-one Traditional Name: 3-phenethyl-1,2,3,4-tetrahydrothiochromeno[2,3-d]pyrimidin-3-ium-5-one Formula: C19H19N2OS+ MolecularWeight: 323.43196

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NC[NH+]1CCC3=CC=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

C1C2=C(NC[NH+]1CCC3=CC=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C19H18N2OS/c22-18-15-8-4-5-9-17(15)23-19-16(18)12-21(13-20-19)11-10-14-6-2-1-3-7-14/h1-9,20H,10-13H2/p+1