2-(4-bromanylphenoxy)ethyl-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2-(4-bromophenoxy)ethyl-[(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-bromophenoxy)ethyl-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2-(4-bromophenoxy)ethyl-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 2-(4-bromophenoxy)ethyl-[(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C19H21BrN3O2+ MolecularWeight: 403.29294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+](C)CCOC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+](C)CCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H20BrN3O2/c1-14(19(24)22-17-5-3-4-15(12-17)13-21)23(2)10-11-25-18-8-6-16(20)7-9-18/h3-9,12,14H,10-11H2,1-2H3,(H,22,24)/p+1/t14-/m1/s1