[(2R)-4-methyl-1-[(3-methylsulfanylphenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2R)-4-methyl-1-[(3-methylsulfanylphenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1R)-3-methyl-1-[(3-methylsulfanylphenyl)carbamoyl]butyl]ammonium CAS Name: [(2R)-4-methyl-1-[3-(methylthio)anilino]-1-oxopentan-2-yl]ammonium IUPAC Name: [(2R)-4-methyl-1-(3-methylsulfanylanilino)-1-oxopentan-2-yl]azanium Traditional Name: [(1R)-3-methyl-1-[[3-(methylthio)phenyl]carbamoyl]butyl]ammonium Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC(=CC=C1)SC)[NH3+]

Isomeric SMILES

CC(C)C[C@H](C(=O)NC1=CC(=CC=C1)SC)[NH3+]

InChI

InChI=1S/C13H20N2OS/c1-9(2)7-12(14)13(16)15-10-5-4-6-11(8-10)17-3/h4-6,8-9,12H,7,14H2,1-3H3,(H,15,16)/p+1/t12-/m1/s1