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

Systemtic Name: 3-[2-(4-methoxyphenyl)-7,7-dimethyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-(4-methoxyphenyl)-7,7-dimethyl-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-(4-methoxyphenyl)-7,7-dimethyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]propyl-dimethylammonium IUPAC Name: 3-[2-(4-methoxyphenyl)-7,7-dimethyl-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-(4-methoxyphenyl)-7,7-dimethyl-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]propyl-dimethyl-ammonium Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=S)N=C(N2CCC[NH+](C)C)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1(CC2=C(CO1)C(=S)N=C(N2CCC[NH+](C)C)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H29N3O2S/c1-21(2)13-18-17(14-26-21)20(27)22-19(24(18)12-6-11-23(3)4)15-7-9-16(25-5)10-8-15/h7-10H,6,11-14H2,1-5H3/p+1