4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethyl]morpholin-4-ium

Systemtic Name: 4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethyl]morpholin-4-ium Openeye Name: 4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethyl]morpholin-4-ium CAS Name: 4-[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]ethyl]morpholin-4-ium IUPAC Name: 4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholin-4-ium Traditional Name: 4-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]ethyl]morpholin-4-ium Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCC[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)SCC[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3OS/c1-14-18-16(15-5-3-2-4-6-15)13-17(19-14)22-12-9-20-7-10-21-11-8-20/h2-6,13H,7-12H2,1H3/p+1