[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-[(2S)-3-butoxy-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl]-[(2S)-3-butoxy-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl]-[(2S)-3-butoxy-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: [2-(4-bromophenyl)-2-oxoethyl]-[(2S)-3-butoxy-2-hydroxypropyl]-dimethylammonium IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl]-[(2S)-3-butoxy-2-hydroxypropyl]-dimethylazanium Traditional Name: [2-(4-bromophenyl)-2-keto-ethyl]-[(2S)-3-butoxy-2-hydroxy-propyl]-dimethyl-ammonium Formula: C17H27BrNO3+ MolecularWeight: 373.30518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(C[N+](C)(C)CC(=O)C1=CC=C(C=C1)Br)O

Isomeric SMILES

CCCCOC[C@H](C[N+](C)(C)CC(=O)C1=CC=C(C=C1)Br)O

InChI

InChI=1S/C17H27BrNO3/c1-4-5-10-22-13-16(20)11-19(2,3)12-17(21)14-6-8-15(18)9-7-14/h6-9,16,20H,4-5,10-13H2,1-3H3/q+1/t16-/m0/s1