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

Systemtic Name: [(2S)-3-ethoxy-2-[(4-ethylphenyl)methyl]-3-oxidanylidene-propyl]azanium Openeye Name: [(2S)-3-ethoxy-2-[(4-ethylphenyl)methyl]-3-oxo-propyl]ammonium CAS Name: [(2S)-3-ethoxy-2-[(4-ethylphenyl)methyl]-3-oxopropyl]ammonium IUPAC Name: [(2S)-3-ethoxy-2-[(4-ethylphenyl)methyl]-3-oxopropyl]azanium Traditional Name: [(2S)-3-ethoxy-2-(4-ethylbenzyl)-3-keto-propyl]ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(C[NH3+])C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C[C@@H](C[NH3+])C(=O)OCC

InChI

InChI=1S/C14H21NO2/c1-3-11-5-7-12(8-6-11)9-13(10-15)14(16)17-4-2/h5-8,13H,3-4,9-10,15H2,1-2H3/p+1/t13-/m0/s1