2-[(2S)-4-[(2,6-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2,6-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2,6-dimethoxyphenyl)methyl]-1-isopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2,6-dimethoxyphenyl)methyl]-1-(3-methylbutyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2,6-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,6-dimethoxybenzyl)-1-isoamyl-piperazin-1-ium-2-yl]ethanol Formula: C20H35N2O3+ MolecularWeight: 351.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)CC2=C(C=CC=C2OC)OC

Isomeric SMILES

CC(C)CC[NH+]1CCN(C[C@@H]1CCO)CC2=C(C=CC=C2OC)OC

InChI

InChI=1S/C20H34N2O3/c1-16(2)8-10-22-12-11-21(14-17(22)9-13-23)15-18-19(24-3)6-5-7-20(18)25-4/h5-7,16-17,23H,8-15H2,1-4H3/p+1/t17-/m0/s1