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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC(C)(C)C

InChI

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