3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium

Systemtic Name: 3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium Openeye Name: 3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium CAS Name: 3-(2-fluoro-4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium IUPAC Name: 3-(2-fluoro-4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium Traditional Name: 3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-4-ium Formula: C21H22FN2O+ MolecularWeight: 337.410583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CN(C3=[N+]2CCCCC3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CN(C3=[N+]2CCCCC3)C4=CC=CC=C4)F

InChI

InChI=1S/C21H22FN2O/c1-25-17-11-12-18(19(22)14-17)20-15-24(16-8-4-2-5-9-16)21-10-6-3-7-13-23(20)21/h2,4-5,8-9,11-12,14-15H,3,6-7,10,13H2,1H3/q+1