dimethyl-[(1R)-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]amino]-1-phenyl-ethyl]ammonium Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC[C@@H](C3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C23H26N4OS/c1-17-14-20(18-10-6-4-7-11-18)26-23(25-17)29-16-22(28)24-15-21(27(2)3)19-12-8-5-9-13-19/h4-14,21H,15-16H2,1-3H3,(H,24,28)/p+1/t21-/m0/s1