2,3,3-trimethyl-5-nitro-1-propyl-indol-1-ium

Systemtic Name: 2,3,3-trimethyl-5-nitro-1-propyl-indol-1-ium Openeye Name: 2,3,3-trimethyl-5-nitro-1-propyl-indol-1-ium CAS Name: 2,3,3-trimethyl-5-nitro-1-propylindol-1-ium IUPAC Name: 2,3,3-trimethyl-5-nitro-1-propylindol-1-ium Traditional Name: 2,3,3-trimethyl-5-nitro-1-propyl-indol-1-ium Formula: C14H19N2O2+ MolecularWeight: 247.31286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C)C

Isomeric SMILES

CCC[N+]1=C(C(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C)C

InChI

InChI=1S/C14H19N2O2/c1-5-8-15-10(2)14(3,4)12-9-11(16(17)18)6-7-13(12)15/h6-7,9H,5,8H2,1-4H3/q+1