[(2R)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [(2R)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: [(2R)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: [(2R)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [(2R)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: [(2R)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(C[NH2+]CCCN2C=CN=C2)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC[C@@H](C[NH2+]CCCN2C=CN=C2)O)C

InChI

InChI=1S/C17H25N3O2/c1-14-8-15(2)10-17(9-14)22-12-16(21)11-18-4-3-6-20-7-5-19-13-20/h5,7-10,13,16,18,21H,3-4,6,11-12H2,1-2H3/p+1/t16-/m1/s1