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

Systemtic Name: [(4S)-4-[(4-azanyl-2-chloranyl-phenyl)carbonylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(4-amino-2-chloro-benzoyl)amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[(4-amino-2-chlorophenyl)-oxomethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(4-amino-2-chlorobenzoyl)amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(4-amino-2-chloro-benzoyl)amino]pentyl]-diethyl-ammonium Formula: C16H27ClN3O+ MolecularWeight: 312.85808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClN3O/c1-4-20(5-2)10-6-7-12(3)19-16(21)14-9-8-13(18)11-15(14)17/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,19,21)/p+1/t12-/m0/s1