[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-cyclopropyl-azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-cyclopropyl-azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methyl-cyclopropyl-ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-cyclopropylammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-cyclopropylazanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]-cyclopropyl-ammonium Formula: C13H18BrN2O3+ MolecularWeight: 330.19762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CC2)Br)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CC2)Br)OCC(=O)N

InChI

InChI=1S/C13H17BrN2O3/c1-18-11-5-8(6-16-9-2-3-9)4-10(14)13(11)19-7-12(15)17/h4-5,9,16H,2-3,6-7H2,1H3,(H2,15,17)/p+1