(2-azanyl-2-oxidanylidene-ethyl)-[2-[[4-(4-bromanylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]-propan-2-yl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[2-[[4-(4-bromanylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[2-[4-(4-bromophenoxy)anilino]-2-oxo-ethyl]-isopropyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[2-[4-(4-bromophenoxy)anilino]-2-oxoethyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[2-[4-(4-bromophenoxy)anilino]-2-oxoethyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-[2-[4-(4-bromophenoxy)anilino]-2-keto-ethyl]-isopropyl-ammonium Formula: C19H23BrN3O3+ MolecularWeight: 421.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC(=O)N)CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[NH+](CC(=O)N)CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H22BrN3O3/c1-13(2)23(11-18(21)24)12-19(25)22-15-5-9-17(10-6-15)26-16-7-3-14(20)4-8-16/h3-10,13H,11-12H2,1-2H3,(H2,21,24)(H,22,25)/p+1