[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1S,2S)-2-methylcyclohexyl]azanium

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1S,2S)-2-methylcyclohexyl]azanium Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]-[(1S,2S)-2-methylcyclohexyl]ammonium CAS Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl]-[(1S,2S)-2-methylcyclohexyl]ammonium IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl]-[(1S,2S)-2-methylcyclohexyl]azanium Traditional Name: [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]-[(1S,2S)-2-methylcyclohexyl]ammonium Formula: C16H24BrN2O+ MolecularWeight: 340.27856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]CC(=O)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C16H23BrN2O/c1-11-5-3-4-6-15(11)18-10-16(20)19-13-7-8-14(17)12(2)9-13/h7-9,11,15,18H,3-6,10H2,1-2H3,(H,19,20)/p+1/t11-,15-/m0/s1