[2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-phenyl]methyl-propan-2-yl-azanium

Systemtic Name: [2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-phenyl]methyl-propan-2-yl-azanium Openeye Name: [2-(2-amino-2-oxo-ethoxy)-5-bromo-phenyl]methyl-isopropyl-ammonium CAS Name: [2-(2-amino-2-oxoethoxy)-5-bromophenyl]methyl-propan-2-ylammonium IUPAC Name: [2-(2-amino-2-oxoethoxy)-5-bromophenyl]methyl-propan-2-ylazanium Traditional Name: [2-(2-amino-2-keto-ethoxy)-5-bromo-benzyl]-isopropyl-ammonium Formula: C12H18BrN2O2+ MolecularWeight: 302.18752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC1=C(C=CC(=C1)Br)OCC(=O)N

Isomeric SMILES

CC(C)[NH2+]CC1=C(C=CC(=C1)Br)OCC(=O)N

InChI

InChI=1S/C12H17BrN2O2/c1-8(2)15-6-9-5-10(13)3-4-11(9)17-7-12(14)16/h3-5,8,15H,6-7H2,1-2H3,(H2,14,16)/p+1