(3R)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-(2-hydroxyethyl)-4-(p-tolylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-(2-hydroxyethyl)-4-(4-methylbenzyl)piperazin-4-ium-2-one Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CCO

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CCO

InChI

InChI=1S/C14H20N2O2/c1-11-2-4-12(5-3-11)10-16-8-7-15-14(18)13(16)6-9-17/h2-5,13,17H,6-10H2,1H3,(H,15,18)/p+1/t13-/m1/s1