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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC(=CC=C2)F)CC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC(=CC=C2)F)CC3=NC(=CS3)C4=CC=CC=C4

InChI

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