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

Systemtic Name: [(1S)-2-[(4-ethanoyl-2-nitro-phenyl)amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(4-acetyl-2-nitro-anilino)-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-(4-acetyl-2-nitroanilino)-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-(4-acetyl-2-nitroanilino)-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-(4-acetyl-2-nitro-anilino)-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-13(22)15-9-10-16(17(11-15)21(23)24)19-12-18(20(2)3)14-7-5-4-6-8-14/h4-11,18-19H,12H2,1-3H3/p+1/t18-/m1/s1