[(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-cyclooctyl-azanium

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-cyclooctyl-azanium Openeye Name: [(1S)-2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl]-cyclooctyl-ammonium CAS Name: [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-cyclooctylammonium IUPAC Name: [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-cyclooctylazanium Traditional Name: [(1S)-2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl]-cyclooctyl-ammonium Formula: C23H30ClN2O+ MolecularWeight: 385.9501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]C3CCCCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]C3CCCCCCC3)Cl

InChI

InChI=1S/C23H29ClN2O/c1-17-14-15-20(16-21(17)24)26-23(27)22(18-10-6-5-7-11-18)25-19-12-8-3-2-4-9-13-19/h5-7,10-11,14-16,19,22,25H,2-4,8-9,12-13H2,1H3,(H,26,27)/p+1/t22-/m0/s1