[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-[2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl]-methyl-ammonium Formula: C20H33BrN3O2+ MolecularWeight: 427.39892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=O)NC(C)(C)CC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=O)NC(C)(C)CC(C)(C)C

InChI

InChI=1S/C20H32BrN3O2/c1-14-10-15(21)8-9-16(14)22-17(25)11-24(7)12-18(26)23-20(5,6)13-19(2,3)4/h8-10H,11-13H2,1-7H3,(H,22,25)(H,23,26)/p+1