2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone

Systemtic Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone Openeye Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-[2-(o-tolyl)ethyl]-1-piperidyl]ethanone CAS Name: 2-(4-ethyl-1-piperazin-1-iumyl)-1-[(3S)-3-[2-(2-methylphenyl)ethyl]-1-piperidinyl]ethanone IUPAC Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone Traditional Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-[2-(o-tolyl)ethyl]piperidino]ethanone Formula: C22H36N3O+ MolecularWeight: 358.54074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)N2CCCC(C2)CCC3=CC=CC=C3C

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)CCC3=CC=CC=C3C

InChI

InChI=1S/C22H35N3O/c1-3-23-13-15-24(16-14-23)18-22(26)25-12-6-8-20(17-25)10-11-21-9-5-4-7-19(21)2/h4-5,7,9,20H,3,6,8,10-18H2,1-2H3/p+1/t20-/m1/s1