4-chloranyl-2-[[1-(dimethylazaniumyl)cyclohexyl]methyliminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[1-(dimethylazaniumyl)cyclohexyl]methyliminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[1-(dimethylammonio)cyclohexyl]methyliminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[1-(dimethylammonio)cyclohexyl]methyliminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[1-(dimethylazaniumyl)cyclohexyl]methyliminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[1-(dimethylammonio)cyclohexyl]methyliminomethyl]-6-nitro-phenolate Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](C)C1(CCCCC1)CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H22ClN3O3/c1-19(2)16(6-4-3-5-7-16)11-18-10-12-8-13(17)9-14(15(12)21)20(22)23/h8-10,21H,3-7,11H2,1-2H3