[(2S)-2-(5-chloranyl-2-oxidanyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(5-chloranyl-2-oxidanyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(5-chloro-2-hydroxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(5-chloro-2-hydroxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(5-chloro-2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(5-chloro-2-hydroxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C13H22ClN3O+2 MolecularWeight: 271.78628

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C[NH3+])C2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C[NH3+])C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C13H20ClN3O/c1-16-4-6-17(7-5-16)12(9-15)11-8-10(14)2-3-13(11)18/h2-3,8,12,18H,4-7,9,15H2,1H3/p+2/t12-/m1/s1