[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-imidazol-1-ylphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-imidazol-1-ylphenyl)methyl]-methyl-azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-[(4-imidazol-1-ylphenyl)methyl]-methyl-ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[[4-(1-imidazolyl)phenyl]methyl]-methylammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4-imidazol-1-ylphenyl)methyl]-methylazanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-(4-imidazol-1-ylbenzyl)-methyl-ammonium Formula: C20H22BrN4O+ MolecularWeight: 414.31888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C20H21BrN4O/c1-15-11-17(21)5-8-19(15)23-20(26)13-24(2)12-16-3-6-18(7-4-16)25-10-9-22-14-25/h3-11,14H,12-13H2,1-2H3,(H,23,26)/p+1