2-(3,5-dimethylphenoxy)ethyl-methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl-methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Openeye Name: 2-(3,5-dimethylphenoxy)ethyl-methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 2-(3,5-dimethylphenoxy)ethyl-methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl-methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Traditional Name: 2-(3,5-dimethylphenoxy)ethyl-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-methyl-ammonium Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC[NH+](C)CC2=NC(=O)C3=C(N2)C=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC[NH+](C)CC2=NC(=O)C3=C(N2)C=CS3)C

InChI

InChI=1S/C18H21N3O2S/c1-12-8-13(2)10-14(9-12)23-6-5-21(3)11-16-19-15-4-7-24-17(15)18(22)20-16/h4,7-10H,5-6,11H2,1-3H3,(H,19,20,22)/p+1