[(2S)-3-ethoxy-2-[(4-methylphenyl)methyl]-3-oxidanylidene-propyl]azanium

Systemtic Name: [(2S)-3-ethoxy-2-[(4-methylphenyl)methyl]-3-oxidanylidene-propyl]azanium Openeye Name: [(2S)-3-ethoxy-3-oxo-2-(p-tolylmethyl)propyl]ammonium CAS Name: [(2S)-3-ethoxy-2-[(4-methylphenyl)methyl]-3-oxopropyl]ammonium IUPAC Name: [(2S)-3-ethoxy-2-[(4-methylphenyl)methyl]-3-oxopropyl]azanium Traditional Name: [(2S)-3-ethoxy-3-keto-2-(4-methylbenzyl)propyl]ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C)C[NH3+]

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CC=C(C=C1)C)C[NH3+]

InChI

InChI=1S/C13H19NO2/c1-3-16-13(15)12(9-14)8-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9,14H2,1-2H3/p+1/t12-/m0/s1