[3-[4-(butoxycarbonylamino)phenoxy]-2-oxidanyl-propyl]-tert-butyl-azanium chloride

Systemtic Name: [3-[4-(butoxycarbonylamino)phenoxy]-2-oxidanyl-propyl]-tert-butyl-azanium chloride Openeye Name: [3-[4-(butoxycarbonylamino)phenoxy]-2-hydroxy-propyl]-tert-butyl-ammonium chloride CAS Name: [3-[4-[[butoxy(oxo)methyl]amino]phenoxy]-2-hydroxypropyl]-tert-butylammonium chloride IUPAC Name: [3-[4-(butoxycarbonylamino)phenoxy]-2-hydroxypropyl]-tert-butylazanium chloride Traditional Name: [3-[4-(butoxycarbonylamino)phenoxy]-2-hydroxy-propyl]-tert-butyl-ammonium chloride Formula: C18H31ClN2O4 MolecularWeight: 374.90274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=CC=C(C=C1)OCC(C[NH2+]C(C)(C)C)O.[Cl-]

Isomeric SMILES

CCCCOC(=O)NC1=CC=C(C=C1)OCC(C[NH2+]C(C)(C)C)O.[Cl-]

InChI

InChI=1S/C18H30N2O4.ClH/c1-5-6-11-23-17(22)20-14-7-9-16(10-8-14)24-13-15(21)12-19-18(2,3)4;/h7-10,15,19,21H,5-6,11-13H2,1-4H3,(H,20,22);1H