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

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-tert-butylphenyl)methyl]-methyl-azanium Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]-[(4-tert-butylphenyl)methyl]-methyl-ammonium CAS Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-tert-butylphenyl)methyl]-methylammonium IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-tert-butylphenyl)methyl]-methylazanium Traditional Name: [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]-(4-tert-butylbenzyl)-methyl-ammonium Formula: C21H28BrN2O+ MolecularWeight: 404.36382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C21H27BrN2O/c1-15-6-11-19(18(22)12-15)23-20(25)14-24(5)13-16-7-9-17(10-8-16)21(2,3)4/h6-12H,13-14H2,1-5H3,(H,23,25)/p+1