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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C18H22BrN2O2+ MolecularWeight: 378.28348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)CCOC2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)CCOC2=CC=CC=C2)Br

InChI

InChI=1S/C18H21BrN2O2/c1-14-12-15(8-9-17(14)19)20-18(22)13-21(2)10-11-23-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)/p+1