2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]-1-[4-(hydroxymethyl)-4-phenethyl-piperidin-1-yl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)CC(=O)N2CCC(CC2)(CCC3=CC=CC=C3)CO)C

Isomeric SMILES

C[NH+]1CCN([C@H](C1)CC(=O)N2CCC(CC2)(CCC3=CC=CC=C3)CO)C

InChI

InChI=1S/C22H35N3O2/c1-23-14-15-24(2)20(17-23)16-21(27)25-12-10-22(18-26,11-13-25)9-8-19-6-4-3-5-7-19/h3-7,20,26H,8-18H2,1-2H3/p+1/t20-/m0/s1