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

Systemtic Name: 3-[[4-cyano-2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-benzyloxyphenyl)-4-cyano-oxazol-5-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-2-(4-phenylmethoxyphenyl)-5-oxazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-benzoxyphenyl)-4-cyano-oxazol-5-yl]amino]propyl-dimethyl-ammonium Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

C[NH+](C)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H24N4O2/c1-26(2)14-6-13-24-22-20(15-23)25-21(28-22)18-9-11-19(12-10-18)27-16-17-7-4-3-5-8-17/h3-5,7-12,24H,6,13-14,16H2,1-2H3/p+1