3-[(2R)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propylazanium

Systemtic Name: 3-[(2R)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propylazanium Openeye Name: 3-[(2R)-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propylammonium CAS Name: 3-[(2R)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propylammonium IUPAC Name: 3-[(2R)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propylazanium Traditional Name: 3-[(2R)-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propylammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=CC=CC=C2O1)CCC[NH3+]

Isomeric SMILES

CC(C)[C@@H]1C(=O)N(C2=CC=CC=C2O1)CCC[NH3+]

InChI

InChI=1S/C14H20N2O2/c1-10(2)13-14(17)16(9-5-8-15)11-6-3-4-7-12(11)18-13/h3-4,6-7,10,13H,5,8-9,15H2,1-2H3/p+1/t13-/m1/s1