2-(4-bromanylphenoxy)ethyl-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(4-bromophenoxy)ethyl-[2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-bromophenoxy)ethyl-[2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 2-(4-bromophenoxy)ethyl-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: 2-(4-bromophenoxy)ethyl-[2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C18H25BrN3O3+ MolecularWeight: 411.3134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrN3O3/c1-18(2,3)15-11-17(25-21-15)20-16(23)12-22(4)9-10-24-14-7-5-13(19)6-8-14/h5-8,11H,9-10,12H2,1-4H3,(H,20,23)/p+1