3-(6-chloranyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propylazanium

Systemtic Name: 3-(6-chloranyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propylazanium Openeye Name: 3-(6-chloro-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propylammonium CAS Name: 3-(6-chloro-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propylammonium IUPAC Name: 3-(6-chloro-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propylazanium Traditional Name: 3-(6-chloro-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)propylammonium Formula: C13H18ClN2O2+ MolecularWeight: 269.74722

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCC[NH3+])C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCC[NH3+])C

InChI

InChI=1S/C13H17ClN2O2/c1-13(2)12(17)16(7-3-6-15)10-8-9(14)4-5-11(10)18-13/h4-5,8H,3,6-7,15H2,1-2H3/p+1