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

Systemtic Name: 7,7-dimethyl-2-(3-methylphenyl)-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Openeye Name: 7,7-dimethyl-2-(m-tolyl)-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine CAS Name: 7,7-dimethyl-2-(3-methylphenyl)-4-[2-(1-piperidin-1-iumyl)ethylthio]-5,8-dihydropyrano[4,3-d]pyrimidine IUPAC Name: 7,7-dimethyl-2-(3-methylphenyl)-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Traditional Name: 7,7-dimethyl-2-(m-tolyl)-4-(2-piperidin-1-ium-1-ylethylthio)-5,8-dihydropyrano[4,3-d]pyrimidine Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCC[NH+]4CCCCC4

InChI

InChI=1S/C23H31N3OS/c1-17-8-7-9-18(14-17)21-24-20-15-23(2,3)27-16-19(20)22(25-21)28-13-12-26-10-5-4-6-11-26/h7-9,14H,4-6,10-13,15-16H2,1-3H3/p+1