(2E)-3-phenethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)benzo[f][1,3]benzoxazole

Systemtic Name: (2E)-3-phenethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)benzo[f][1,3]benzoxazole Openeye Name: (2E)-3-phenethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)benzo[f][1,3]benzoxazole CAS Name: (2E)-3-phenethyl-2-[2-(1-pyrrolidin-1-iumylidene)ethylidene]benzo[f][1,3]benzoxazole IUPAC Name: (2E)-3-phenethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)benzo[f][1,3]benzoxazole Traditional Name: (2E)-3-phenethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)benzo[f][1,3]benzoxazole Formula: C25H25N2O+ MolecularWeight: 369.4788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=CC=C2N(C3=CC4=CC=CC=C4C=C3O2)CCC5=CC=CC=C5)C1

Isomeric SMILES

C1CC[N+](=C/C=C/2\N(C3=CC4=CC=CC=C4C=C3O2)CCC5=CC=CC=C5)C1

InChI

InChI=1S/C25H25N2O/c1-2-8-20(9-3-1)12-17-27-23-18-21-10-4-5-11-22(21)19-24(23)28-25(27)13-16-26-14-6-7-15-26/h1-5,8-11,13,16,18-19H,6-7,12,14-15,17H2/q+1