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

Systemtic Name: 2-[[1-(dimethylazaniumyl)cyclohexyl]methyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[[1-(dimethylammonio)cyclohexyl]methyliminomethyl]-4-nitro-phenolate CAS Name: 2-[[1-(dimethylammonio)cyclohexyl]methyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[[1-(dimethylazaniumyl)cyclohexyl]methyliminomethyl]-4-nitrophenolate Traditional Name: 2-[[1-(dimethylammonio)cyclohexyl]methyliminomethyl]-4-nitro-phenolate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-18(2)16(8-4-3-5-9-16)12-17-11-13-10-14(19(21)22)6-7-15(13)20/h6-7,10-11,20H,3-5,8-9,12H2,1-2H3