[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(2-phenoxyethyl)azanium Openeye Name: [5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(2-phenoxyethyl)ammonium CAS Name: [5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(2-phenoxyethyl)azanium Traditional Name: [5-(4-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(2-phenoxyethyl)ammonium Formula: C22H21ClN3O2S+ MolecularWeight: 426.93904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

InChI

InChI=1S/C22H20ClN3O2S/c1-26(11-12-28-17-5-3-2-4-6-17)13-19-24-21(27)20-18(14-29-22(20)25-19)15-7-9-16(23)10-8-15/h2-10,14H,11-13H2,1H3,(H,24,25,27)/p+1