[(1S)-1-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-1-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-diethyl-azanium Openeye Name: [(1S)-1-(5-chloro-2-hydroxy-phenyl)-2-oxo-2-piperazin-1-yl-ethyl]-diethyl-ammonium CAS Name: [(1S)-1-(5-chloro-2-hydroxyphenyl)-2-oxo-2-(1-piperazinyl)ethyl]-diethylammonium IUPAC Name: [(1S)-1-(5-chloro-2-hydroxyphenyl)-2-oxo-2-piperazin-1-ylethyl]-diethylazanium Traditional Name: [(1S)-1-(5-chloro-2-hydroxy-phenyl)-2-keto-2-piperazino-ethyl]-diethyl-ammonium Formula: C16H25ClN3O2+ MolecularWeight: 326.8416

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C1=C(C=CC(=C1)Cl)O)C(=O)N2CCNCC2

Isomeric SMILES

CC[NH+](CC)[C@@H](C1=C(C=CC(=C1)Cl)O)C(=O)N2CCNCC2

InChI

InChI=1S/C16H24ClN3O2/c1-3-19(4-2)15(13-11-12(17)5-6-14(13)21)16(22)20-9-7-18-8-10-20/h5-6,11,15,18,21H,3-4,7-10H2,1-2H3/p+1/t15-/m0/s1