[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-[(5-phenylisoxazol-3-yl)methyl]ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-3-isoxazolyl)methyl]ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-[(5-phenylisoxazol-3-yl)methyl]ammonium Formula: C20H21BrN3O2+ MolecularWeight: 415.30364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O2/c1-14-10-16(21)8-9-18(14)22-20(25)13-24(2)12-17-11-19(26-23-17)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,22,25)/p+1