[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-azanium

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-azanium Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-ammonium CAS Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-ethylammonium IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-ethylazanium Traditional Name: [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]-(4-ethoxy-3-methoxy-benzyl)-ethyl-ammonium Formula: C21H28BrN2O3+ MolecularWeight: 436.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC(=O)NC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC(=O)NC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C21H27BrN2O3/c1-5-24(13-16-8-10-19(27-6-2)20(12-16)26-4)14-21(25)23-18-9-7-15(3)11-17(18)22/h7-12H,5-6,13-14H2,1-4H3,(H,23,25)/p+1