2-acetamidoethyl-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 2-acetamidoethyl-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: 2-acetamidoethyl-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]ammonium CAS Name: 2-acetamidoethyl-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]ammonium IUPAC Name: 2-acetamidoethyl-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]azanium Traditional Name: 2-acetamidoethyl-(3-bromo-4-hydroxy-5-methoxy-benzyl)ammonium Formula: C12H18BrN2O3+ MolecularWeight: 318.18692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

CC(=O)NCC[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C12H17BrN2O3/c1-8(16)15-4-3-14-7-9-5-10(13)12(17)11(6-9)18-2/h5-6,14,17H,3-4,7H2,1-2H3,(H,15,16)/p+1