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

Systemtic Name: 2-[(2S)-1-methyl-4-[[4-(2-methylpropyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-isobutylphenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[4-(2-methylpropyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[[4-(2-methylpropyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-isobutylbenzyl)-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O/c1-15(2)12-16-4-6-17(7-5-16)13-20-10-9-19(3)18(14-20)8-11-21/h4-7,15,18,21H,8-14H2,1-3H3/p+1/t18-/m0/s1