[(2S,3S)-1-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[(2-chloro-4,6-dimethyl-phenyl)carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-(2-chloro-4,6-dimethylanilino)-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-(2-chloro-4,6-dimethylanilino)-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[(2-chloro-4,6-dimethyl-phenyl)carbamoyl]-2-methyl-butyl]ammonium Formula: C14H22ClN2O+ MolecularWeight: 269.79028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=C(C=C(C=C1Cl)C)C)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=C(C=C(C=C1Cl)C)C)[NH3+]

InChI

InChI=1S/C14H21ClN2O/c1-5-9(3)12(16)14(18)17-13-10(4)6-8(2)7-11(13)15/h6-7,9,12H,5,16H2,1-4H3,(H,17,18)/p+1/t9-,12-/m0/s1