cycloheptyl-[(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: cycloheptyl-[(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: cycloheptyl-[(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: cycloheptyl-[(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: cycloheptyl-[(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: cycloheptyl-[(1R)-2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl]ammonium Formula: C16H23FN3O3+ MolecularWeight: 324.370523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])[NH2+]C2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])[NH2+]C2CCCCCC2

InChI

InChI=1S/C16H22FN3O3/c1-11(18-12-6-4-2-3-5-7-12)16(21)19-13-8-9-14(17)15(10-13)20(22)23/h8-12,18H,2-7H2,1H3,(H,19,21)/p+1/t11-/m1/s1