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

Systemtic Name: 3-[(2R)-2,6-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propylazanium Openeye Name: 3-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propylammonium CAS Name: 3-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propylammonium IUPAC Name: 3-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propylazanium Traditional Name: 3-[(2R)-3-keto-2,6-dimethyl-1,4-benzoxazin-4-yl]propylammonium Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CCC[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2/c1-9-4-5-12-11(8-9)15(7-3-6-14)13(16)10(2)17-12/h4-5,8,10H,3,6-7,14H2,1-2H3/p+1/t10-/m1/s1