[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-fluoranyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-fluoranyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-fluorobenzothiophen-2-yl)methanone CAS Name: [4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(4-fluoro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: (4-fluorobenzothiophen-2-yl)-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C22H24FN2O3S+ MolecularWeight: 415.500963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F)OC

InChI

InChI=1S/C22H23FN2O3S/c1-27-18-7-6-15(12-19(18)28-2)14-24-8-10-25(11-9-24)22(26)21-13-16-17(23)4-3-5-20(16)29-21/h3-7,12-13H,8-11,14H2,1-2H3/p+1