4-chloranyl-N-[(2R)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]benzamide

Systemtic Name: 4-chloranyl-N-[(2R)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]benzamide Openeye Name: 4-chloro-N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]benzamide CAS Name: 4-chloro-N-[(2R)-2-hydroxy-3-(1-piperazin-4-iumyl)propyl]benzamide IUPAC Name: 4-chloro-N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-ylpropyl]benzamide Traditional Name: 4-chloro-N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]benzamide Formula: C14H21ClN3O2+ MolecularWeight: 298.78844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH2+]1)C[C@@H](CNC(=O)C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C14H20ClN3O2/c15-12-3-1-11(2-4-12)14(20)17-9-13(19)10-18-7-5-16-6-8-18/h1-4,13,16,19H,5-10H2,(H,17,20)/p+1/t13-/m1/s1