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

Systemtic Name: methyl-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(2-phenoxyethyl)azanium Openeye Name: methyl-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-phenoxyethyl)ammonium CAS Name: methyl-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(2-phenoxyethyl)ammonium IUPAC Name: methyl-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(2-phenoxyethyl)azanium Traditional Name: [4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(2-phenoxyethyl)ammonium Formula: C20H20N3O2S2+ MolecularWeight: 398.5217

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C20H19N3O2S2/c1-23(9-10-25-14-6-3-2-4-7-14)12-17-21-19(24)18-15(13-27-20(18)22-17)16-8-5-11-26-16/h2-8,11,13H,9-10,12H2,1H3,(H,21,22,24)/p+1