4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butylazanium

Systemtic Name: 4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butylazanium Openeye Name: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butylammonium CAS Name: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butylammonium IUPAC Name: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butylazanium Traditional Name: 4-(3-keto-6-methyl-1,4-benzoxazin-4-yl)butylammonium Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCCC[NH3+]

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCCC[NH3+]

InChI

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