[(1R)-1-(4-tert-butylphenyl)-2-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylamino]ethyl]-diethyl-azanium

Systemtic Name: [(1R)-1-(4-tert-butylphenyl)-2-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylamino]ethyl]-diethyl-azanium Openeye Name: [(1R)-1-(4-tert-butylphenyl)-2-[(5-chloro-2-ethylsulfanyl-pyrimidine-4-carbonyl)amino]ethyl]-diethyl-ammonium CAS Name: [(1R)-1-(4-tert-butylphenyl)-2-[[[5-chloro-2-(ethylthio)-4-pyrimidinyl]-oxomethyl]amino]ethyl]-diethylammonium IUPAC Name: [(1R)-1-(4-tert-butylphenyl)-2-[(5-chloro-2-ethylsulfanylpyrimidine-4-carbonyl)amino]ethyl]-diethylazanium Traditional Name: [(1R)-1-(4-tert-butylphenyl)-2-[[5-chloro-2-(ethylthio)pyrimidine-4-carbonyl]amino]ethyl]-diethyl-ammonium Formula: C23H34ClN4OS+ MolecularWeight: 450.06026

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=NC(=NC=C1Cl)SCC)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC[NH+](CC)[C@@H](CNC(=O)C1=NC(=NC=C1Cl)SCC)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H33ClN4OS/c1-7-28(8-2)19(16-10-12-17(13-11-16)23(4,5)6)15-25-21(29)20-18(24)14-26-22(27-20)30-9-3/h10-14,19H,7-9,15H2,1-6H3,(H,25,29)/p+1/t19-/m0/s1