3-[(2R)-6-chloranyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propylazanium

Systemtic Name: 3-[(2R)-6-chloranyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propylazanium Openeye Name: 3-[(2R)-6-chloro-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propylammonium CAS Name: 3-[(2R)-6-chloro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propylammonium IUPAC Name: 3-[(2R)-6-chloro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propylazanium Traditional Name: 3-[(2R)-6-chloro-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propylammonium Formula: C14H20ClN2O2+ MolecularWeight: 283.7738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCC[NH3+]

Isomeric SMILES

CC(C)[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCC[NH3+]

InChI

InChI=1S/C14H19ClN2O2/c1-9(2)13-14(18)17(7-3-6-16)11-8-10(15)4-5-12(11)19-13/h4-5,8-9,13H,3,6-7,16H2,1-2H3/p+1/t13-/m1/s1