6-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-phenyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-phenyl-2-(2-piperidin-1-ium-1-ylethylthio)-1H-pyrimidin-4-one Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3OS/c21-16-13-15(14-7-3-1-4-8-14)18-17(19-16)22-12-11-20-9-5-2-6-10-20/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,18,19,21)/p+1