4-[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCCC[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2/c1-10-13(16)15(9-5-4-8-14)11-6-2-3-7-12(11)17-10/h2-3,6-7,10H,4-5,8-9,14H2,1H3/p+1/t10-/m1/s1