(5-bromanyl-2-methoxy-phenyl)methyl-[2-(methoxycarbonylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-(methoxycarbonylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-(methoxycarbonylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-(carbomethoxyamino)-2-keto-ethyl]-methyl-ammonium Formula: C13H18BrN2O4+ MolecularWeight: 346.19702

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC(=O)OC

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC(=O)OC

InChI

InChI=1S/C13H17BrN2O4/c1-16(8-12(17)15-13(18)20-3)7-9-6-10(14)4-5-11(9)19-2/h4-6H,7-8H2,1-3H3,(H,15,17,18)/p+1