3-propyl-1,3-benzoxazol-3-ium; trimethyl(3-pyridin-1-ium-1-ylpropyl)azanium

Systemtic Name: 3-propyl-1,3-benzoxazol-3-ium; trimethyl(3-pyridin-1-ium-1-ylpropyl)azanium Openeye Name: 3-propyl-1,3-benzoxazol-3-ium; trimethyl(3-pyridin-1-ium-1-ylpropyl)ammonium CAS Name: 3-propyl-1,3-benzoxazol-3-ium; trimethyl-[3-(1-pyridin-1-iumyl)propyl]ammonium IUPAC Name: 3-propyl-1,3-benzoxazol-3-ium; trimethyl(3-pyridin-1-ium-1-ylpropyl)azanium Traditional Name: 3-propyl-1,3-benzoxazol-3-ium; trimethyl(3-pyridin-1-ium-1-ylpropyl)ammonium Formula: C21H32N3O+3 MolecularWeight: 342.49828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=COC2=CC=CC=C21.C[N+](C)(C)CCC[N+]1=CC=CC=C1

Isomeric SMILES

CCC[N+]1=COC2=CC=CC=C21.C[N+](C)(C)CCC[N+]1=CC=CC=C1

InChI

InChI=1S/C11H20N2.C10H12NO/c1-13(2,3)11-7-10-12-8-5-4-6-9-12;1-2-7-11-8-12-10-6-4-3-5-9(10)11/h4-6,8-9H,7,10-11H2,1-3H3;3-6,8H,2,7H2,1H3/q+2;+1