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

Systemtic Name: 3-[7,7-dimethyl-2-(4-methylphenyl)-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[7,7-dimethyl-2-(p-tolyl)-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[7,7-dimethyl-2-(4-methylphenyl)-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]propyl-dimethylammonium IUPAC Name: 3-[7,7-dimethyl-2-(4-methylphenyl)-4-sulfanylidene-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[7,7-dimethyl-2-(p-tolyl)-4-thioxo-5,8-dihydropyrano[4,3-d]pyrimidin-1-yl]propyl-dimethyl-ammonium Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)C3=C(N2CCC[NH+](C)C)CC(OC3)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)C3=C(N2CCC[NH+](C)C)CC(OC3)(C)C

InChI

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