(2R)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]propane-1,2-diol

Systemtic Name: (2R)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]propane-1,2-diol Openeye Name: (2R)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propane-1,2-diol CAS Name: (2R)-3-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]propane-1,2-diol IUPAC Name: (2R)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]propane-1,2-diol Traditional Name: (2R)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propane-1,2-diol Formula: C14H22ClN2O2+ MolecularWeight: 285.78968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(CO)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C[C@H](CO)O

InChI

InChI=1S/C14H21ClN2O2/c1-11-2-3-12(15)8-14(11)17-6-4-16(5-7-17)9-13(19)10-18/h2-3,8,13,18-19H,4-7,9-10H2,1H3/p+1/t13-/m1/s1