(4-chlorophenyl)methyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-chlorophenyl)methyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-chlorophenyl)methyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-chlorophenyl)methyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (4-chlorophenyl)methyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: (4-chlorobenzyl)-[2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(C=C2)Cl)C

InChI

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