2-[4-[[4-fluoranyl-3-(phenoxymethyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[[4-fluoranyl-3-(phenoxymethyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-fluoro-3-(phenoxymethyl)benzothiophene-2-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[4-fluoro-3-(phenoxymethyl)-1-benzothiophen-2-yl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-fluoro-3-(phenoxymethyl)benzothiophene-2-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C27H31FN3O3S+ MolecularWeight: 496.616743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

InChI

InChI=1S/C27H30FN3O3S/c28-22-10-7-11-23-25(22)21(19-34-20-8-3-1-4-9-20)26(35-23)27(33)31-16-14-29(15-17-31)18-24(32)30-12-5-2-6-13-30/h1,3-4,7-11H,2,5-6,12-19H2/p+1