2-[5,6-dimethyl-1-(phenylcarbonyl)-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[5,6-dimethyl-1-(phenylcarbonyl)-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-azanium Openeye Name: 2-(1-benzoyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-3-yl)ethyl-diethyl-ammonium CAS Name: 2-(1-benzoyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-3-yl)ethyl-diethylammonium IUPAC Name: 2-(1-benzoyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-3-yl)ethyl-diethylazanium Traditional Name: 2-(1-benzoyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-3-yl)ethyl-diethyl-ammonium Formula: C21H31N3OS+2 MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH+]1CC2=C(N(C1)C(=O)C3=CC=CC=C3)SC(=C2C)C

Isomeric SMILES

CC[NH+](CC)CC[NH+]1CC2=C(N(C1)C(=O)C3=CC=CC=C3)SC(=C2C)C

InChI

InChI=1S/C21H29N3OS/c1-5-22(6-2)12-13-23-14-19-16(3)17(4)26-21(19)24(15-23)20(25)18-10-8-7-9-11-18/h7-11H,5-6,12-15H2,1-4H3/p+2