[(2S)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamoyl]-2-methyl-propyl]ammonium Formula: C13H20ClN2O2+ MolecularWeight: 271.7631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C(C)C)[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C13H19ClN2O2/c1-7(2)12(15)13(17)16-10-5-8(3)9(14)6-11(10)18-4/h5-7,12H,15H2,1-4H3,(H,16,17)/p+1/t12-/m0/s1