2-[(2S)-4-(2,2-diphenylethyl)-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C24H35N2O+ MolecularWeight: 367.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCN(C[C@@H]1CCO)CC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H34N2O/c1-20(2)17-26-15-14-25(18-23(26)13-16-27)19-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,20,23-24,27H,13-19H2,1-2H3/p+1/t23-/m0/s1