[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium

Systemtic Name: [2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C19H29BrN3O2+ MolecularWeight: 411.35646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28BrN3O2/c1-14-11-15(20)9-10-17(14)23-19(25)13-22-18(24)12-21-16-7-5-3-2-4-6-8-16/h9-11,16,21H,2-8,12-13H2,1H3,(H,22,24)(H,23,25)/p+1