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

Systemtic Name: 4-[(4-fluorophenyl)methyl]-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(4-fluorophenyl)methyl]-1-[(4-phenylthiazol-2-yl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(4-fluorophenyl)methyl]-1-[(4-phenyl-2-thiazolyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(4-fluorophenyl)methyl]-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(4-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=C(C=C2)F)CC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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