1-(azepan-1-yl)-2-[4-[2-(6-fluoranylindol-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[2-(6-fluoranylindol-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-(6-fluoroindol-1-yl)acetyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[2-(6-fluoro-1-indolyl)-1-oxoethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[2-(6-fluoroindol-1-yl)acetyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(6-fluoroindol-1-yl)acetyl]piperazin-1-ium-1-yl]ethanone Formula: C22H30FN4O2+ MolecularWeight: 401.497603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CN3C=CC4=C3C=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CN3C=CC4=C3C=C(C=C4)F

InChI

InChI=1S/C22H29FN4O2/c23-19-6-5-18-7-10-27(20(18)15-19)17-22(29)26-13-11-24(12-14-26)16-21(28)25-8-3-1-2-4-9-25/h5-7,10,15H,1-4,8-9,11-14,16-17H2/p+1