cyclooctyl-bis[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-bis[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-bis[2-(3,5-dimethylanilino)-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-bis[2-(3,5-dimethylanilino)-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-bis[2-(3,5-dimethylanilino)-2-oxoethyl]azanium Traditional Name: cyclooctyl-bis[2-(3,5-dimethylanilino)-2-keto-ethyl]ammonium Formula: C28H40N3O2+ MolecularWeight: 450.6361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C[NH+](CC(=O)NC2=CC(=CC(=C2)C)C)C3CCCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[NH+](CC(=O)NC2=CC(=CC(=C2)C)C)C3CCCCCCC3)C

InChI

InChI=1S/C28H39N3O2/c1-20-12-21(2)15-24(14-20)29-27(32)18-31(26-10-8-6-5-7-9-11-26)19-28(33)30-25-16-22(3)13-23(4)17-25/h12-17,26H,5-11,18-19H2,1-4H3,(H,29,32)(H,30,33)/p+1