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

Systemtic Name: 3-[[4-cyano-2-[(3-methylphenoxy)methyl]-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-2-[(3-methylphenoxy)methyl]oxazol-5-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-2-[(3-methylphenoxy)methyl]-5-oxazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-2-[(3-methylphenoxy)methyl]-1,3-oxazol-5-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-2-[(3-methylphenoxy)methyl]oxazol-5-yl]amino]propyl-dimethyl-ammonium Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NC(=C(O2)NCCC[NH+](C)C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NC(=C(O2)NCCC[NH+](C)C)C#N

InChI

InChI=1S/C17H22N4O2/c1-13-6-4-7-14(10-13)22-12-16-20-15(11-18)17(23-16)19-8-5-9-21(2)3/h4,6-7,10,19H,5,8-9,12H2,1-3H3/p+1