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

Systemtic Name: 2-[(2S)-1-(2-methylpropyl)-4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-[(4-isopropoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2-methylpropyl)-4-[(4-propan-2-yloxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2-methylpropyl)-4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-(4-isopropoxybenzyl)piperazin-1-ium-2-yl]ethanol Formula: C20H35N2O2+ MolecularWeight: 335.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O2/c1-16(2)13-22-11-10-21(15-19(22)9-12-23)14-18-5-7-20(8-6-18)24-17(3)4/h5-8,16-17,19,23H,9-15H2,1-4H3/p+1/t19-/m0/s1