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

Systemtic Name: 7,7-dimethyl-2-phenyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Openeye Name: 7,7-dimethyl-2-phenyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine CAS Name: 7,7-dimethyl-2-phenyl-4-[2-(1-piperidin-1-iumyl)ethylthio]-5,8-dihydropyrano[4,3-d]pyrimidine IUPAC Name: 7,7-dimethyl-2-phenyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Traditional Name: 7,7-dimethyl-2-phenyl-4-(2-piperidin-1-ium-1-ylethylthio)-5,8-dihydropyrano[4,3-d]pyrimidine Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-22(2)15-19-18(16-26-22)21(27-14-13-25-11-7-4-8-12-25)24-20(23-19)17-9-5-3-6-10-17/h3,5-6,9-10H,4,7-8,11-16H2,1-2H3/p+1