[(1S)-2-[(4-methanoyl-2-nitro-phenyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(4-methanoyl-2-nitro-phenyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(4-formyl-2-nitro-anilino)-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-(4-formyl-2-nitroanilino)-1-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(4-formyl-2-nitroanilino)-1-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-(4-formyl-2-nitro-anilino)-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)C=O)[N+](=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)C=O)[N+](=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H21N3O4/c1-20(2)18(14-5-7-15(25-3)8-6-14)11-19-16-9-4-13(12-22)10-17(16)21(23)24/h4-10,12,18-19H,11H2,1-3H3/p+1/t18-/m1/s1