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

Systemtic Name: [2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C20H31BrN3O2+ MolecularWeight: 425.38304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30BrN3O2/c1-15-12-16(21)10-11-18(15)23-19(25)14-24(2)20(26)13-22-17-8-6-4-3-5-7-9-17/h10-12,17,22H,3-9,13-14H2,1-2H3,(H,23,25)/p+1