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

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(2-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(o-tolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(2-methylphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(2-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-methylbenzyl)-1-neopentyl-piperazin-1-ium-2-yl]ethanol Formula: C19H33N2O+ MolecularWeight: 305.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](C(C2)CCO)CC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+]([C@H](C2)CCO)CC(C)(C)C

InChI

InChI=1S/C19H32N2O/c1-16-7-5-6-8-17(16)13-20-10-11-21(15-19(2,3)4)18(14-20)9-12-22/h5-8,18,22H,9-15H2,1-4H3/p+1/t18-/m0/s1