3-[[2-[(4-bromanylphenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[(4-bromanylphenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(4-bromophenoxy)methyl]-4-cyano-oxazol-5-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(4-bromophenoxy)methyl]-4-cyano-5-oxazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[(4-bromophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[(4-bromophenoxy)methyl]-4-cyano-oxazol-5-yl]amino]propyl-dimethyl-ammonium Formula: C16H20BrN4O2+ MolecularWeight: 380.2596

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C(N=C(O1)COC2=CC=C(C=C2)Br)C#N

Isomeric SMILES

C[NH+](C)CCCNC1=C(N=C(O1)COC2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C16H19BrN4O2/c1-21(2)9-3-8-19-16-14(10-18)20-15(23-16)11-22-13-6-4-12(17)5-7-13/h4-7,19H,3,8-9,11H2,1-2H3/p+1