methyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(2-phenoxyethyl)azanium

Systemtic Name: methyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(2-phenoxyethyl)azanium Openeye Name: methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(2-phenoxyethyl)ammonium CAS Name: methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(2-phenoxyethyl)ammonium IUPAC Name: methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(2-phenoxyethyl)azanium Traditional Name: (4-keto-6-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=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

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