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

Systemtic Name: [(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-cyclooctyl-azanium Openeye Name: [(1S)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-cyclooctylammonium IUPAC Name: [(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-cyclooctylazanium Traditional Name: [(1S)-2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl]-cyclooctyl-ammonium Formula: C18H28ClN2O+ MolecularWeight: 323.88072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)[NH2+]C2CCCCCCC2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)[NH2+]C2CCCCCCC2

InChI

InChI=1S/C18H27ClN2O/c1-13-16(19)11-8-12-17(13)21-18(22)14(2)20-15-9-6-4-3-5-7-10-15/h8,11-12,14-15,20H,3-7,9-10H2,1-2H3,(H,21,22)/p+1/t14-/m0/s1