N-[[(3R)-1-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoyl]piperidin-3-yl]methyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[(3R)-1-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoyl]piperidin-3-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[(3R)-1-[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]-3-piperidyl]methyl]-4-fluoro-benzamide CAS Name: N-[[(3R)-1-[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]-3-piperidinyl]methyl]-4-fluorobenzamide IUPAC Name: N-[[(3R)-1-[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]piperidin-3-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[(3R)-1-[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]-3-piperidyl]methyl]-4-fluoro-benzamide Formula: C21H32FN4O2+ MolecularWeight: 391.502783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)N2CCCC(C2)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H31FN4O2/c1-2-24-10-12-25(13-11-24)16-20(27)26-9-3-4-17(15-26)14-23-21(28)18-5-7-19(22)8-6-18/h5-8,17H,2-4,9-16H2,1H3,(H,23,28)/p+1/t17-/m1/s1