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

Systemtic Name: cyclooctyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]ammonium Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH2+]C2CCCCCCC2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH2+]C2CCCCCCC2)C

InChI

InChI=1S/C18H27N3O3/c1-13-10-11-16(21(23)24)18(14(13)2)20-17(22)12-19-15-8-6-4-3-5-7-9-15/h10-11,15,19H,3-9,12H2,1-2H3,(H,20,22)/p+1