2-[(2S)-4-[(3S)-7-methoxy-3,7-dimethyl-octyl]-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3S)-7-methoxy-3,7-dimethyl-octyl]-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-[(3S)-7-methoxy-3,7-dimethyl-octyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3S)-7-methoxy-3,7-dimethyloctyl]-1-(2-methylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3S)-7-methoxy-3,7-dimethyloctyl]-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-[(3S)-7-methoxy-3,7-dimethyl-octyl]piperazin-4-ium-2-yl]ethanol Formula: C21H45N2O2+ MolecularWeight: 357.5942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC[NH+](CC1CCO)CCC(C)CCCC(C)(C)OC

Isomeric SMILES

C[C@@H](CCCC(C)(C)OC)CC[NH+]1CCN([C@H](C1)CCO)CC(C)C

InChI

InChI=1S/C21H44N2O2/c1-18(2)16-23-14-13-22(17-20(23)10-15-24)12-9-19(3)8-7-11-21(4,5)25-6/h18-20,24H,7-17H2,1-6H3/p+1/t19-,20-/m0/s1