3-(1-phenylethyl)-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-1-ium-5-one chloride

Systemtic Name: 3-(1-phenylethyl)-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-1-ium-5-one chloride Openeye Name: 3-(1-phenylethyl)-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-1-ium-5-one chloride CAS Name: 3-(1-phenylethyl)-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-1-ium-5-one chloride IUPAC Name: 3-(1-phenylethyl)-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-1-ium-5-one chloride Traditional Name: 3-(1-phenylethyl)-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-1-ium-5-one chloride Formula: C19H19ClN2OS MolecularWeight: 358.88496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC3=C([NH2+]C2)SC4=CC=CC=C4C3=O.[Cl-]

Isomeric SMILES

CC(C1=CC=CC=C1)N2CC3=C([NH2+]C2)SC4=CC=CC=C4C3=O.[Cl-]

InChI

InChI=1S/C19H18N2OS.ClH/c1-13(14-7-3-2-4-8-14)21-11-16-18(22)15-9-5-6-10-17(15)23-19(16)20-12-21;/h2-10,13,20H,11-12H2,1H3;1H