2-[(2S)-4-[[4-(2-methylpropyl)phenyl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[4-(2-methylpropyl)phenyl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-isobutylphenyl)methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[4-(2-methylpropyl)phenyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[4-(2-methylpropyl)phenyl]methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-isobutylbenzyl)-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C20H35N2O+ MolecularWeight: 319.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O/c1-16(2)13-18-5-7-19(8-6-18)14-21-10-11-22(17(3)4)20(15-21)9-12-23/h5-8,16-17,20,23H,9-15H2,1-4H3/p+1/t20-/m0/s1