2-[(2S)-1-cyclohexyl-4-[(2-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(2-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-(o-tolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[(2-methylphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(2-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-(2-methylbenzyl)piperazin-1-ium-2-yl]ethanol Formula: C20H33N2O+ MolecularWeight: 317.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](C(C2)CCO)C3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3

InChI

InChI=1S/C20H32N2O/c1-17-7-5-6-8-18(17)15-21-12-13-22(20(16-21)11-14-23)19-9-3-2-4-10-19/h5-8,19-20,23H,2-4,9-16H2,1H3/p+1/t20-/m0/s1