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

Systemtic Name: [(2S)-2-[(4-bromophenyl)methyl]-3-ethoxy-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: [(2S)-2-[(4-bromophenyl)methyl]-3-ethoxy-3-oxo-propyl]-methyl-ammonium CAS Name: [(2S)-2-[(4-bromophenyl)methyl]-3-ethoxy-3-oxopropyl]-methylammonium IUPAC Name: [(2S)-2-[(4-bromophenyl)methyl]-3-ethoxy-3-oxopropyl]-methylazanium Traditional Name: [(2S)-2-(4-bromobenzyl)-3-ethoxy-3-keto-propyl]-methyl-ammonium Formula: C13H19BrNO2+ MolecularWeight: 301.19946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO2/c1-3-17-13(16)11(9-15-2)8-10-4-6-12(14)7-5-10/h4-7,11,15H,3,8-9H2,1-2H3/p+1/t11-/m0/s1