2-[(2S)-4-(cyclohexylmethyl)-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(cyclohexylmethyl)-1-isobutyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(2-methylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(cyclohexylmethyl)-1-isobutyl-piperazin-4-ium-2-yl]ethanol Formula: C17H35N2O+ MolecularWeight: 283.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC[NH+](CC1CCO)CC2CCCCC2

Isomeric SMILES

CC(C)CN1CC[NH+](C[C@@H]1CCO)CC2CCCCC2

InChI

InChI=1S/C17H34N2O/c1-15(2)12-19-10-9-18(14-17(19)8-11-20)13-16-6-4-3-5-7-16/h15-17,20H,3-14H2,1-2H3/p+1/t17-/m0/s1