[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methylbenzothiophen-2-yl)methanone CAS Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-methyl-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone Traditional Name: [4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-(3-methylbenzothiophen-2-yl)methanone Formula: C22H24FN2O2S+ MolecularWeight: 399.501563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC4=C(C=CC(=C4)F)OC

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC4=C(C=CC(=C4)F)OC

InChI

InChI=1S/C22H23FN2O2S/c1-15-18-5-3-4-6-20(18)28-21(15)22(26)25-11-9-24(10-12-25)14-16-13-17(23)7-8-19(16)27-2/h3-8,13H,9-12,14H2,1-2H3/p+1