(2-azanyl-2-oxidanylidene-ethyl)-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-propan-2-yl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[(4-bromo-2,5-dimethoxy-phenyl)methyl]-isopropyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[(4-bromo-2,5-dimethoxyphenyl)methyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[(4-bromo-2,5-dimethoxyphenyl)methyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-(4-bromo-2,5-dimethoxy-benzyl)-isopropyl-ammonium Formula: C14H22BrN2O3+ MolecularWeight: 346.24008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC(=C(C=C1OC)Br)OC)CC(=O)N

Isomeric SMILES

CC(C)[NH+](CC1=CC(=C(C=C1OC)Br)OC)CC(=O)N

InChI

InChI=1S/C14H21BrN2O3/c1-9(2)17(8-14(16)18)7-10-5-13(20-4)11(15)6-12(10)19-3/h5-6,9H,7-8H2,1-4H3,(H2,16,18)/p+1