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

Systemtic Name: 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]ethyl-dimethyl-azanium Openeye Name: 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)thio]ethyl-dimethylammonium IUPAC Name: 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)thio]ethyl-dimethyl-ammonium Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=CC=C3)SCC[NH+](C)C)C

Isomeric SMILES

CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=CC=C3)SCC[NH+](C)C)C

InChI

InChI=1S/C19H25N3OS/c1-19(2)12-16-15(13-23-19)18(24-11-10-22(3)4)21-17(20-16)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3/p+1