1-(azepan-1-yl)-2-[4-[3-(4-fluorophenyl)imidazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[3-(4-fluorophenyl)imidazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[3-(4-fluorophenyl)-4-imidazolyl]-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-ium-1-yl]ethanone Formula: C22H29FN5O2+ MolecularWeight: 414.496363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=CN3C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=CN3C4=CC=C(C=C4)F

InChI

InChI=1S/C22H28FN5O2/c23-18-5-7-19(8-6-18)28-17-24-15-20(28)22(30)27-13-11-25(12-14-27)16-21(29)26-9-3-1-2-4-10-26/h5-8,15,17H,1-4,9-14,16H2/p+1