2-(3-methoxyphenyl)-7,7-dimethyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine

Systemtic Name: 2-(3-methoxyphenyl)-7,7-dimethyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Openeye Name: 2-(3-methoxyphenyl)-7,7-dimethyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine CAS Name: 2-(3-methoxyphenyl)-7,7-dimethyl-4-[2-(1-piperidin-1-iumyl)ethylthio]-5,8-dihydropyrano[4,3-d]pyrimidine IUPAC Name: 2-(3-methoxyphenyl)-7,7-dimethyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Traditional Name: 2-(3-methoxyphenyl)-7,7-dimethyl-4-(2-piperidin-1-ium-1-ylethylthio)-5,8-dihydropyrano[4,3-d]pyrimidine Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=NC(=N2)C3=CC(=CC=C3)OC)SCC[NH+]4CCCCC4)C

Isomeric SMILES

CC1(CC2=C(CO1)C(=NC(=N2)C3=CC(=CC=C3)OC)SCC[NH+]4CCCCC4)C

InChI

InChI=1S/C23H31N3O2S/c1-23(2)15-20-19(16-28-23)22(29-13-12-26-10-5-4-6-11-26)25-21(24-20)17-8-7-9-18(14-17)27-3/h7-9,14H,4-6,10-13,15-16H2,1-3H3/p+1