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

Systemtic Name: 3-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propylazanium Openeye Name: 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propylammonium CAS Name: 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propylammonium IUPAC Name: 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propylazanium Traditional Name: 3-(3-keto-6-methyl-1,4-benzoxazin-4-yl)propylammonium Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCC[NH3+]

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCC[NH3+]

InChI

InChI=1S/C12H16N2O2/c1-9-3-4-11-10(7-9)14(6-2-5-13)12(15)8-16-11/h3-4,7H,2,5-6,8,13H2,1H3/p+1