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

Systemtic Name: methyl-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(2-phenoxyethyl)azanium Openeye Name: methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(2-phenoxyethyl)ammonium CAS Name: methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(2-phenoxyethyl)ammonium IUPAC Name: methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(2-phenoxyethyl)azanium Traditional Name: (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-(2-phenoxyethyl)ammonium Formula: C22H22N3O2S+ MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-25(12-13-27-17-10-6-3-7-11-17)14-19-23-21(26)20-18(15-28-22(20)24-19)16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,23,24,26)/p+1