2-[(2S)-4-[(3,5-dimethylphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3,5-dimethylphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3,5-dimethylphenyl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3,5-dimethylphenyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3,5-dimethylphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3,5-dimethylbenzyl)-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C19H33N2O+ MolecularWeight: 305.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O/c1-15(2)12-21-7-6-20(14-19(21)5-8-22)13-18-10-16(3)9-17(4)11-18/h9-11,15,19,22H,5-8,12-14H2,1-4H3/p+1/t19-/m0/s1