[(1R)-1-(4-ethylphenyl)-2-[(2-methoxy-5-nitro-phenyl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-ethylphenyl)-2-[(2-methoxy-5-nitro-phenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-ethylphenyl)-2-[(2-methoxy-5-nitro-benzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-ethylphenyl)-2-[[(2-methoxy-5-nitrophenyl)-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-ethylphenyl)-2-[(2-methoxy-5-nitrobenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-ethylphenyl)-2-[(2-methoxy-5-nitro-benzoyl)amino]ethyl]-dimethyl-ammonium Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-5-14-6-8-15(9-7-14)18(22(2)3)13-21-20(24)17-12-16(23(25)26)10-11-19(17)27-4/h6-12,18H,5,13H2,1-4H3,(H,21,24)/p+1/t18-/m0/s1