[(1S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1-(3-methoxyphenyl)ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1-(3-methoxyphenyl)ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[(2-chloro-4-nitro-benzoyl)amino]-1-(3-methoxyphenyl)ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-1-(3-methoxyphenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-[(2-chloro-4-nitrobenzoyl)amino]-1-(3-methoxyphenyl)ethyl]-diethylazanium Traditional Name: [(1S)-2-[(2-chloro-4-nitro-benzoyl)amino]-1-(3-methoxyphenyl)ethyl]-diethyl-ammonium Formula: C20H25ClN3O4+ MolecularWeight: 406.8832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O4/c1-4-23(5-2)19(14-7-6-8-16(11-14)28-3)13-22-20(25)17-10-9-15(24(26)27)12-18(17)21/h6-12,19H,4-5,13H2,1-3H3,(H,22,25)/p+1/t19-/m1/s1