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

Systemtic Name: 3-[[4-cyano-2-[(2-methoxyphenoxy)methyl]-1,3-oxazol-5-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-2-[(2-methoxyphenoxy)methyl]oxazol-5-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-2-[(2-methoxyphenoxy)methyl]-5-oxazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-2-[(2-methoxyphenoxy)methyl]-1,3-oxazol-5-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-2-[(2-methoxyphenoxy)methyl]oxazol-5-yl]amino]propyl-dimethyl-ammonium Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C(N=C(O1)COC2=CC=CC=C2OC)C#N

Isomeric SMILES

C[NH+](C)CCCNC1=C(N=C(O1)COC2=CC=CC=C2OC)C#N

InChI

InChI=1S/C17H22N4O3/c1-21(2)10-6-9-19-17-13(11-18)20-16(24-17)12-23-15-8-5-4-7-14(15)22-3/h4-5,7-8,19H,6,9-10,12H2,1-3H3/p+1