2-[7,7-dimethyl-2-(4-methylphenyl)-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[7,7-dimethyl-2-(4-methylphenyl)-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[7,7-dimethyl-2-(p-tolyl)-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[7,7-dimethyl-2-(4-methylphenyl)-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]ethyl-diethylammonium IUPAC Name: 2-[7,7-dimethyl-2-(4-methylphenyl)-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]ethyl-diethylazanium Traditional Name: 2-[7,7-dimethyl-2-(p-tolyl)-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]ethyl-diethyl-ammonium Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC)CCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=C(C=C3)C

InChI

InChI=1S/C22H31N3OS/c1-6-24(7-2)12-13-25-19-14-22(4,5)26-15-18(19)21(27)23-20(25)17-10-8-16(3)9-11-17/h8-11H,6-7,12-15H2,1-5H3/p+1