cyclooctyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]ammonium Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH2+]C2CCCCCCC2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH2+]C2CCCCCCC2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O4/c1-13-10-16(21(23)24)17(25-2)11-15(13)20-18(22)12-19-14-8-6-4-3-5-7-9-14/h10-11,14,19H,3-9,12H2,1-2H3,(H,20,22)/p+1