[(1S)-1-(2-chlorophenyl)-2-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]ethyl]-diethyl-azanium

Systemtic Name: [(1S)-1-(2-chlorophenyl)-2-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]ethyl]-diethyl-azanium Openeye Name: [(1S)-1-(2-chlorophenyl)-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]ethyl]-diethyl-ammonium CAS Name: [(1S)-1-(2-chlorophenyl)-2-[[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl]-diethylammonium IUPAC Name: [(1S)-1-(2-chlorophenyl)-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]ethyl]-diethylazanium Traditional Name: [(1S)-1-(2-chlorophenyl)-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]ethyl]-diethyl-ammonium Formula: C18H23ClN3O2+ MolecularWeight: 348.84712

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=C[N+](=CC=C1)[O-])C2=CC=CC=C2Cl

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=C[N+](=CC=C1)[O-])C2=CC=CC=C2Cl

InChI

InChI=1S/C18H22ClN3O2/c1-3-21(4-2)17(15-9-5-6-10-16(15)19)12-20-18(23)14-8-7-11-22(24)13-14/h5-11,13,17H,3-4,12H2,1-2H3,(H,20,23)/p+1/t17-/m1/s1