2-[(2S)-4-[(3-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-(m-tolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-methylphenyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-(3-methylbenzyl)piperazin-1-ium-2-yl]ethanol Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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