[(1R)-1-(4-ethylphenyl)-2-[(3-methyl-2-nitro-phenyl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-ethylphenyl)-2-[(3-methyl-2-nitro-phenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-ethylphenyl)-2-[(3-methyl-2-nitro-benzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-ethylphenyl)-2-[[(3-methyl-2-nitrophenyl)-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-ethylphenyl)-2-[(3-methyl-2-nitrobenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-ethylphenyl)-2-[(3-methyl-2-nitro-benzoyl)amino]ethyl]-dimethyl-ammonium Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-])[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-])[NH+](C)C

InChI

InChI=1S/C20H25N3O3/c1-5-15-9-11-16(12-10-15)18(22(3)4)13-21-20(24)17-8-6-7-14(2)19(17)23(25)26/h6-12,18H,5,13H2,1-4H3,(H,21,24)/p+1/t18-/m0/s1