[(4S)-4-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(5-chloro-2-hydroxy-benzoyl)amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[(5-chloro-2-hydroxyphenyl)-oxomethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(5-chloro-2-hydroxybenzoyl)amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(5-chloro-2-hydroxy-benzoyl)amino]pentyl]-diethyl-ammonium Formula: C16H26ClN2O2+ MolecularWeight: 313.84284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN2O2/c1-4-19(5-2)10-6-7-12(3)18-16(21)14-11-13(17)8-9-15(14)20/h8-9,11-12,20H,4-7,10H2,1-3H3,(H,18,21)/p+1/t12-/m0/s1