2-(4-ethylpiperazin-1-ium-1-yl)-1-[4-(hydroxymethyl)-4-phenethyl-piperidin-1-yl]ethanone

Systemtic Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[4-(hydroxymethyl)-4-phenethyl-piperidin-1-yl]ethanone Openeye Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[4-(hydroxymethyl)-4-phenethyl-1-piperidyl]ethanone CAS Name: 2-(4-ethyl-1-piperazin-1-iumyl)-1-[4-(hydroxymethyl)-4-phenethyl-1-piperidinyl]ethanone IUPAC Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[4-(hydroxymethyl)-4-phenethylpiperidin-1-yl]ethanone Traditional Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-(4-methylol-4-phenethyl-piperidino)ethanone Formula: C22H36N3O2+ MolecularWeight: 374.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)N2CCC(CC2)(CCC3=CC=CC=C3)CO

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)N2CCC(CC2)(CCC3=CC=CC=C3)CO

InChI

InChI=1S/C22H35N3O2/c1-2-23-14-16-24(17-15-23)18-21(27)25-12-10-22(19-26,11-13-25)9-8-20-6-4-3-5-7-20/h3-7,26H,2,8-19H2,1H3/p+1