1-(azepan-1-yl)-2-[4-[2-(4-fluorophenyl)carbonylphenyl]carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[2-(4-fluorophenyl)carbonylphenyl]carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-(4-fluorobenzoyl)benzoyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[2-[(4-fluorophenyl)-oxomethyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[2-(4-fluorobenzoyl)benzoyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(4-fluorobenzoyl)benzoyl]piperazin-1-ium-1-yl]ethanone Formula: C26H31FN3O3+ MolecularWeight: 452.541043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H30FN3O3/c27-21-11-9-20(10-12-21)25(32)22-7-3-4-8-23(22)26(33)30-17-15-28(16-18-30)19-24(31)29-13-5-1-2-6-14-29/h3-4,7-12H,1-2,5-6,13-19H2/p+1