cyclooctyl-[(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: cyclooctyl-[(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: cyclooctyl-[(1R)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: cyclooctyl-[(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: cyclooctyl-[(1R)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl]ammonium Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])[NH2+]C2CCCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])[NH2+]C2CCCCCCC2

InChI

InChI=1S/C18H27N3O4/c1-13(19-14-8-6-4-3-5-7-9-14)18(22)20-16-11-10-15(25-2)12-17(16)21(23)24/h10-14,19H,3-9H2,1-2H3,(H,20,22)/p+1/t13-/m1/s1