(1S)-1-(4-methylphenyl)-2-piperazin-4-ium-1-yl-ethanol

Systemtic Name: (1S)-1-(4-methylphenyl)-2-piperazin-4-ium-1-yl-ethanol Openeye Name: (1S)-2-piperazin-4-ium-1-yl-1-(p-tolyl)ethanol CAS Name: (1S)-1-(4-methylphenyl)-2-(1-piperazin-4-iumyl)ethanol IUPAC Name: (1S)-1-(4-methylphenyl)-2-piperazin-4-ium-1-ylethanol Traditional Name: (1S)-2-piperazin-4-ium-1-yl-1-(p-tolyl)ethanol Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2CC[NH2+]CC2)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CN2CC[NH2+]CC2)O

InChI

InChI=1S/C13H20N2O/c1-11-2-4-12(5-3-11)13(16)10-15-8-6-14-7-9-15/h2-5,13-14,16H,6-10H2,1H3/p+1/t13-/m1/s1