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

Systemtic Name: [(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-cyclooctyl-azanium Openeye Name: [(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]-cyclooctylammonium IUPAC Name: [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]-cyclooctylazanium Traditional Name: [(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl]-cyclooctyl-ammonium Formula: C18H28BrN2O+ MolecularWeight: 368.33172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN2O/c1-13-10-11-17(16(19)12-13)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