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

Systemtic Name: 2-(7,7-dimethyl-4-methylsulfanyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-1-ium-1-yl)ethyl-diethyl-azanium Openeye Name: 2-(7,7-dimethyl-4-methylsulfanyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-1-ium-1-yl)ethyl-diethyl-ammonium CAS Name: 2-[7,7-dimethyl-4-(methylthio)-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-1-ium-1-yl]ethyl-diethylammonium IUPAC Name: 2-(7,7-dimethyl-4-methylsulfanyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-1-ium-1-yl)ethyl-diethylazanium Traditional Name: 2-[7,7-dimethyl-4-(methylthio)-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-1-ium-1-yl]ethyl-diethyl-ammonium Formula: C22H33N3OS+2 MolecularWeight: 387.58192

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C(N=C(C2=C1CC(OC2)(C)C)SC)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C(N=C(C2=C1CC(OC2)(C)C)SC)C3=CC=CC=C3

InChI

InChI=1S/C22H32N3OS/c1-6-24(7-2)13-14-25-19-15-22(3,4)26-16-18(19)21(27-5)23-20(25)17-11-9-8-10-12-17/h8-12H,6-7,13-16H2,1-5H3/q+1/p+1