3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]propionamide Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C23H32N4O2S/c1-16-5-7-19(8-6-16)21(15-27-11-13-29-14-12-27)26-22(28)10-9-20-17(2)24-23(30-4)25-18(20)3/h5-8,21H,9-15H2,1-4H3,(H,26,28)/p+1/t21-/m0/s1