3-(5-chloranyl-2-oxidanyl-phenyl)-1-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: 3-(5-chloranyl-2-oxidanyl-phenyl)-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: 3-(5-chloro-2-hydroxy-phenyl)-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: 3-(5-chloro-2-hydroxyphenyl)-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-(5-chloro-2-hydroxyphenyl)-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: 3-(5-chloro-2-hydroxy-phenyl)-1-piperazin-4-ium-1-yl-propan-1-one Formula: C13H18ClN2O2+ MolecularWeight: 269.74722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C13H17ClN2O2/c14-11-2-3-12(17)10(9-11)1-4-13(18)16-7-5-15-6-8-16/h2-3,9,15,17H,1,4-8H2/p+1