[(2S)-4-(4-methoxycarbonylphenyl)butan-2-yl]azanium chloride

Systemtic Name: [(2S)-4-(4-methoxycarbonylphenyl)butan-2-yl]azanium chloride Openeye Name: [(1S)-3-(4-methoxycarbonylphenyl)-1-methyl-propyl]ammonium chloride CAS Name: [(2S)-4-(4-methoxycarbonylphenyl)butan-2-yl]ammonium chloride IUPAC Name: [(2S)-4-(4-methoxycarbonylphenyl)butan-2-yl]azanium chloride Traditional Name: [(1S)-3-(4-carbomethoxyphenyl)-1-methyl-propyl]ammonium chloride Formula: C12H18ClNO2 MolecularWeight: 243.72982

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C(=O)OC)[NH3+].[Cl-]

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)C(=O)OC)[NH3+].[Cl-]

InChI

InChI=1S/C12H17NO2.ClH/c1-9(13)3-4-10-5-7-11(8-6-10)12(14)15-2;/h5-9H,3-4,13H2,1-2H3;1H/t9-;/m0./s1