(2-azanyl-2-oxidanylidene-ethyl)-[2-(3-bromanylphenoxy)ethyl]-propan-2-yl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[2-(3-bromanylphenoxy)ethyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[2-(3-bromophenoxy)ethyl]-isopropyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[2-(3-bromophenoxy)ethyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[2-(3-bromophenoxy)ethyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-[2-(3-bromophenoxy)ethyl]-isopropyl-ammonium Formula: C13H20BrN2O2+ MolecularWeight: 316.2141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCOC1=CC(=CC=C1)Br)CC(=O)N

Isomeric SMILES

CC(C)[NH+](CCOC1=CC(=CC=C1)Br)CC(=O)N

InChI

InChI=1S/C13H19BrN2O2/c1-10(2)16(9-13(15)17)6-7-18-12-5-3-4-11(14)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H2,15,17)/p+1