[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-(3,4-dimethylbenzoyl)propyl]ammonium CAS Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(3,4-dimethylbenzoyl)propyl]ammonium Formula: C12H18NO+ MolecularWeight: 192.27742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC(=C(C=C1)C)C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO/c1-4-11(13)12(14)10-6-5-8(2)9(3)7-10/h5-7,11H,4,13H2,1-3H3/p+1/t11-/m0/s1