(4R)-8,9-diethoxy-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium

Systemtic Name: (4R)-8,9-diethoxy-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: (4R)-8,9-diethoxy-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: (4R)-8,9-diethoxy-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: (4R)-8,9-diethoxy-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: (4R)-8,9-diethoxy-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium Formula: C23H24F3N2O2+ MolecularWeight: 417.44407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C[NH2+]C(C3=CC=CN32)C4=CC=C(C=C4)C(F)(F)F)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[NH2+][C@@H](C3=CC=CN32)C4=CC=C(C=C4)C(F)(F)F)OCC

InChI

InChI=1S/C23H23F3N2O2/c1-3-29-20-12-16-14-27-22(15-7-9-17(10-8-15)23(24,25)26)18-6-5-11-28(18)19(16)13-21(20)30-4-2/h5-13,22,27H,3-4,14H2,1-2H3/p+1/t22-/m1/s1