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

Systemtic Name: [(1S)-1-(2-chlorophenyl)-2-[(4-ethanoyl-2-nitro-phenyl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(4-acetyl-2-nitro-anilino)-1-(2-chlorophenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-(4-acetyl-2-nitroanilino)-1-(2-chlorophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(4-acetyl-2-nitroanilino)-1-(2-chlorophenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-(4-acetyl-2-nitro-anilino)-1-(2-chlorophenyl)ethyl]-dimethyl-ammonium Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC(C2=CC=CC=C2Cl)[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC[C@H](C2=CC=CC=C2Cl)[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O3/c1-12(23)13-8-9-16(17(10-13)22(24)25)20-11-18(21(2)3)14-6-4-5-7-15(14)19/h4-10,18,20H,11H2,1-3H3/p+1/t18-/m1/s1