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

Systemtic Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-chlorobenzyl)-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C17H28ClN2O+ MolecularWeight: 311.87002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN2O/c1-14(2)11-20-9-8-19(13-17(20)7-10-21)12-15-3-5-16(18)6-4-15/h3-6,14,17,21H,7-13H2,1-2H3/p+1/t17-/m0/s1