(2-chloranyl-5-nitro-phenyl)methyl-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium Traditional Name: (2-chloro-5-nitro-benzyl)-[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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