[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-phenylthiazol-4-yl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2-phenyl-4-thiazolyl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(2-phenylthiazol-4-yl)methanone Formula: C22H23FN3O2S+ MolecularWeight: 412.500323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CSC(=N3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CSC(=N3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H22FN3O2S/c1-28-20-8-7-16(13-18(20)23)14-25-9-11-26(12-10-25)22(27)19-15-29-21(24-19)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3/p+1