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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](C(C2)CCO)CC(C)(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)CC(C)(C)C)OC

InChI

InChI=1S/C20H34N2O2/c1-16-12-17(6-7-19(16)24-5)13-21-9-10-22(15-20(2,3)4)18(14-21)8-11-23/h6-7,12,18,23H,8-11,13-15H2,1-5H3/p+1/t18-/m0/s1