4-[(2-fluorophenyl)methyl]-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(2-fluorophenyl)methyl]-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(2-fluorophenyl)methyl]-1-[(2-phenylthiazol-5-yl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(2-fluorophenyl)methyl]-1-[(2-phenyl-5-thiazolyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(2-fluorophenyl)methyl]-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-fluorobenzyl)-1-[(2-phenylthiazol-5-yl)methyl]-1,4-diazepan-1-ium-5-one Formula: C22H23FN3OS+ MolecularWeight: 396.500923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC=CC=C2F)CC3=CN=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC=CC=C2F)CC3=CN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C22H22FN3OS/c23-20-9-5-4-8-18(20)15-26-13-12-25(11-10-21(26)27)16-19-14-24-22(28-19)17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2/p+1