2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-isobutyl-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-isobutyl-1-(4-methoxy-2,3-dimethyl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C20H35N2O2+ MolecularWeight: 335.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)CN2CC[NH+](CC2CCO)CC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)CN2CC[NH+](C[C@@H]2CCO)CC(C)C

InChI

InChI=1S/C20H34N2O2/c1-15(2)12-21-9-10-22(19(14-21)8-11-23)13-18-6-7-20(24-5)17(4)16(18)3/h6-7,15,19,23H,8-14H2,1-5H3/p+1/t19-/m0/s1