cyclooctyl-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: cyclooctyl-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: cyclooctyl-[(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: cyclooctyl-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]azanium Traditional Name: cyclooctyl-[(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl]ammonium Formula: C18H28FN2O+ MolecularWeight: 307.426123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH2+]C2CCCCCCC2)F

InChI

InChI=1S/C18H27FN2O/c1-13-10-11-16(12-17(13)19)21-18(22)14(2)20-15-8-6-4-3-5-7-9-15/h10-12,14-15,20H,3-9H2,1-2H3,(H,21,22)/p+1/t14-/m0/s1