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

Systemtic Name: [(2S)-3-ethoxy-2-[(4-methylphenyl)methyl]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: [(2S)-3-ethoxy-3-oxo-2-(p-tolylmethyl)propyl]-methyl-ammonium CAS Name: [(2S)-3-ethoxy-2-[(4-methylphenyl)methyl]-3-oxopropyl]-methylammonium IUPAC Name: [(2S)-3-ethoxy-2-[(4-methylphenyl)methyl]-3-oxopropyl]-methylazanium Traditional Name: [(2S)-3-ethoxy-3-keto-2-(4-methylbenzyl)propyl]-methyl-ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C)C[NH2+]C

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CC=C(C=C1)C)C[NH2+]C

InChI

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