3-[2-(1,2-benzoxazol-3-yl)ethanoylamino]propylazanium

Systemtic Name: 3-[2-(1,2-benzoxazol-3-yl)ethanoylamino]propylazanium Openeye Name: 3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]propylammonium CAS Name: 3-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]propylammonium IUPAC Name: 3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]propylazanium Traditional Name: 3-[(2-indoxazen-3-ylacetyl)amino]propylammonium Formula: C12H16N3O2+ MolecularWeight: 234.27434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)CC(=O)NCCC[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)CC(=O)NCCC[NH3+]

InChI

InChI=1S/C12H15N3O2/c13-6-3-7-14-12(16)8-10-9-4-1-2-5-11(9)17-15-10/h1-2,4-5H,3,6-8,13H2,(H,14,16)/p+1