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

Systemtic Name: 2-[(2S)-1-(2-methylpropyl)-4-(phenylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-benzyl-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2-methylpropyl)-4-(phenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-benzyl-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-benzyl-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CC=C2

InChI

InChI=1S/C17H28N2O/c1-15(2)12-19-10-9-18(14-17(19)8-11-20)13-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3/p+1/t17-/m0/s1