2-imidazol-1-yl-2-propyl-3H-1,2-benzoxazol-2-ium

Systemtic Name: 2-imidazol-1-yl-2-propyl-3H-1,2-benzoxazol-2-ium Openeye Name: 2-imidazol-1-yl-2-propyl-3H-1,2-benzoxazol-2-ium CAS Name: 2-(1-imidazolyl)-2-propyl-3H-1,2-benzoxazol-2-ium IUPAC Name: 2-imidazol-1-yl-2-propyl-3H-1,2-benzoxazol-2-ium Traditional Name: 2-imidazol-1-yl-2-propyl-3H-indoxazen-2-ium Formula: C13H16N3O+ MolecularWeight: 230.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CC2=CC=CC=C2O1)N3C=CN=C3

Isomeric SMILES

CCC[N+]1(CC2=CC=CC=C2O1)N3C=CN=C3

InChI

InChI=1S/C13H16N3O/c1-2-9-16(15-8-7-14-11-15)10-12-5-3-4-6-13(12)17-16/h3-8,11H,2,9-10H2,1H3/q+1