3-(7-azanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propyl-dimethyl-azanium

Systemtic Name: 3-(7-azanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propyl-dimethyl-azanium Openeye Name: 3-(7-amino-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethyl-ammonium CAS Name: 3-(7-amino-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethylammonium IUPAC Name: 3-(7-amino-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethylazanium Traditional Name: 3-(7-amino-3-keto-1,4-benzoxazin-4-yl)propyl-dimethyl-ammonium Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)COC2=C1C=CC(=C2)N

Isomeric SMILES

C[NH+](C)CCCN1C(=O)COC2=C1C=CC(=C2)N

InChI

InChI=1S/C13H19N3O2/c1-15(2)6-3-7-16-11-5-4-10(14)8-12(11)18-9-13(16)17/h4-5,8H,3,6-7,9,14H2,1-2H3/p+1